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Volumn , Issue , 2010, Pages 133-161

Modeling the physics and chemistry of interfaces in nanodielectrics

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EID: 78650256879     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1007/978-1-4419-1591-7_5     Document Type: Chapter
Times cited : (20)

References (120)
  • 1
    • 0000635723 scopus 로고
    • Theory of high-field electron transport and impact ionization in silicon dioxide
    • Arnold D, Carrier E, DiMaria DJ (1994) Theory of high-field electron transport and impact ionization in silicon dioxide. Phys Rev B 49:10278-10297
    • (1994) Phys Rev B , vol.49 , pp. 10278-10297
    • Arnold, D.1    Carrier, E.2    Dimaria, D.J.3
  • 2
    • 4043069747 scopus 로고    scopus 로고
    • Interface structure and non-stoichiometry in HfO2 dielectrics
    • Baik HS, Kim M, Park GS et al (2004) Interface structure and non-stoichiometry in HfO2 dielectrics. Appl Phys Lett 85:672-674
    • (2004) Appl Phys Lett , vol.85 , pp. 672-674
    • Baik, H.S.1    Kim, M.2    Park, G.S.3
  • 3
    • 0000238999 scopus 로고
    • Completely numerical calculations on diatomic molecules in the local-density approximation
    • Becke AD (1986) Completely numerical calculations on diatomic molecules in the local-density approximation. Phys Rev A 33:2786-2788
    • (1986) Phys Rev A , vol.33 , pp. 2786-2788
    • Becke, A.D.1
  • 5
    • 4244060441 scopus 로고    scopus 로고
    • Polarization-based calculation of the dielectric tensor of polar crystals
    • Bernardini F, Fiorentini V, Vanderbilt D (1997) Polarization-based calculation of the dielectric tensor of polar crystals. Phys Rev Lett 79:3958-3961 (Pubitemid 127645129)
    • (1997) Physical Review Letters , vol.79 , Issue.20 , pp. 3958-3961
    • Bernardini, F.1    Fiorentini, V.2    Vanderbilt, D.3
  • 6
    • 0001052391 scopus 로고
    • Correlation of experimental and theoretical electron band energies of polyethylene
    • Bloor D (1976) Correlation of experimental and theoretical electron band energies of polyethylene. Chem Phys Lett 40:323-325
    • (1976) Chem Phys Lett , vol.40 , pp. 323-325
    • Bloor, D.1
  • 8
    • 3943088402 scopus 로고    scopus 로고
    • A rational consideration of space charge
    • Boggs S (2004) A rational consideration of space charge. IEEE Electr Insul Mag 20:22-27
    • (2004) IEEE Electr Insul Mag , vol.20 , pp. 22-27
    • Boggs, S.1
  • 9
    • 0037132202 scopus 로고    scopus 로고
    • Ab initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices
    • Botti S, Vast N, Reining L et al (2002) Ab initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices. Phys Rev Lett 89:216803
    • (2002) Phys Rev Lett , vol.89 , pp. 216803
    • Botti, S.1    Vast, N.2    Reining, L.3
  • 10
    • 40249098642 scopus 로고    scopus 로고
    • Large-scale ab initio calculations based on three levels of parallelization
    • DOI 10.1016/j.commatsci.2007.07.019, PII S0927025607002091
    • Bottin F, Leroux S, Knyazev A et al (2008) Large-scale ab initio calculations based on three levels of parallelization. Comput Mater Sci 42:329-336 (Pubitemid 351335266)
    • (2008) Computational Materials Science , vol.42 , Issue.2 , pp. 329-336
    • Bottin, F.1    Leroux, S.2    Knyazev, A.3    Zerah, G.4
  • 11
    • 0032680398 scopus 로고    scopus 로고
    • Scaling the gate dielectric: Materials, integration, and reliability
    • Buchanan DA (1999) Scaling the gate dielectric: materials, integration, and reliability. IBM J Res Dev 43:245-264
    • (1999) IBM J Res Dev , vol.43 , pp. 245-264
    • Buchanan, D.A.1
  • 12
    • 9144226415 scopus 로고    scopus 로고
    • The future of nanodielectrics in the electrical power industry
    • Cao Y, Irwin PC, Younsi K (2004) The future of nanodielectrics in the electrical power industry. Trans IEEE DEI-11:797-807
    • (2004) Trans IEEE DEI , vol.11 , pp. 797-807
    • Cao, Y.1    Irwin, P.C.2    Younsi, K.3
  • 14
    • 13644273772 scopus 로고    scopus 로고
    • Control of silicidation in HfO2/Si(100) interfaces
    • Cho DY, Park KS, Choi BH (2005) Control of silicidation in HfO2/Si(100) interfaces. Appl Phys Lett 86:041913
    • (2005) Appl Phys Lett , vol.86 , pp. 041913
    • Cho, D.Y.1    Park, K.S.2    Choi, B.H.3
  • 15
    • 33749262454 scopus 로고    scopus 로고
    • A dielectric polymer with high electric energy density and fast discharge speed
    • DOI 10.1126/science.1127798
    • Chu B, Zhou X, Ren K et al (2006) A dielectric polymer with high electric energy density and fast discharge speed. Science 313:334-336 (Pubitemid 44480954)
    • (2006) Science , vol.313 , Issue.5785 , pp. 334-336
    • Chu, B.1    Zhou, X.2    Ren, K.3    Neese, B.4    Lin, M.5    Wang, Q.6    Bauer, F.7    Zhang, Q.M.8
  • 16
    • 33847708772 scopus 로고    scopus 로고
    • Influence of oxygen vacancies on the dielectric properties of hafnia: First-principles calculations
    • Cockayne E (2007) Influence of oxygen vacancies on the dielectric properties of hafnia: first-principles calculations. Phys Rev B 75:094103
    • (2007) Phys Rev B , vol.75 , pp. 094103
    • Cockayne, E.1
  • 17
    • 4143063005 scopus 로고    scopus 로고
    • Long-range coulomb interaction in ZrO2
    • Detraux F, Ghosez Ph, Gonze X (1998) Long-range coulomb interaction in ZrO2. Phys Rev Lett 81:3297-3297
    • (1998) Phys Rev Lett , vol.81 , pp. 3297-3297
    • Detraux, F.1    Ghosez, Ph.2    Gonze, X.3
  • 18
    • 33749233440 scopus 로고    scopus 로고
    • First-principles study of ZrO2/Si interfaces: Energetics and band offsets
    • Dong YF, Feng YP, Wang SJ et al (2005) First-principles study of ZrO2/Si interfaces: energetics and band offsets. Phys Rev B 72:045327
    • (2005) Phys Rev B , vol.72 , pp. 045327
    • Dong, Y.F.1    Feng, Y.P.2    Wang, S.J.3
  • 19
    • 0002957540 scopus 로고
    • Complete electronic structure of oriented films of hexatriacontane
    • Dudde R, Reihl B (1992) Complete electronic structure of oriented films of hexatriacontane. Chem Phys Lett 196:91-96
    • (1992) Chem Phys Lett , vol.196 , pp. 91-96
    • Dudde, R.1    Reihl, B.2
  • 20
    • 0007507455 scopus 로고    scopus 로고
    • The theory of metal-ceramic interfaces
    • Finnis MW (1996) The theory of metal-ceramic interfaces. J Phys Condens Matter 8:5811-5836 (Pubitemid 126586399)
    • (1996) Journal of Physics Condensed Matter , vol.8 , Issue.32 , pp. 5811-5836
    • Finnis, M.W.1
  • 21
    • 4243672394 scopus 로고    scopus 로고
    • Theoretical evaluation of zirconia and hafnia as gate oxides for Si microelectronics
    • Fiorentini V, Gulleri G (2002) Theoretical evaluation of zirconia and hafnia as gate oxides for Si microelectronics. Phys Rev Lett 89:266-101
    • (2002) Phys Rev Lett , vol.89 , pp. 266-101
    • Fiorentini, V.1    Gulleri, G.2
  • 22
    • 33750589519 scopus 로고    scopus 로고
    • First-principles calculation of the TiN effective work function on SiO2 and on HfO2
    • Fonseca LRC, Knizhnik AA (2006) First-principles calculation of the TiN effective work function on SiO2 and on HfO2. Phys Rev B 74:195304
    • (2006) Phys Rev B , vol.74 , pp. 195304
    • Fonseca, L.R.C.1    Knizhnik, A.A.2
  • 23
    • 0001307437 scopus 로고
    • Experimental and theoretical determination of the electronic structure and optical properties of three phases of ZrO2
    • French RH, Glass SJ, Ohuchi FS et al (1994) Experimental and theoretical determination of the electronic structure and optical properties of three phases of ZrO2. Phys Rev B 49:5133-5142
    • (1994) Phys Rev B , vol.49 , pp. 5133-5142
    • French, R.H.1    Glass, S.J.2    Ohuchi, F.S.3
  • 24
    • 0042919224 scopus 로고    scopus 로고
    • First-principles determination of electromechanical responses of solids under finite electric fields
    • Fu H, Bellaiche L (2003) First-principles determination of electromechanical responses of solids under finite electric fields. Phys Rev Lett 91:057601
    • (2003) Phys Rev Lett , vol.91 , pp. 057601
    • Fu, H.1    Bellaiche, L.2
  • 25
    • 33846267320 scopus 로고    scopus 로고
    • Oxidation of the Pt/HfO2 interface: The role of the oxygen chemical potential
    • Gavrikov AV, Knizhnik AA, Bagatur'yants AA et al (2007) Oxidation of the Pt/HfO2 interface: the role of the oxygen chemical potential. J Appl Phys 101:014310
    • (2007) J Appl Phys , vol.101 , pp. 014310
    • Gavrikov, A.V.1    Knizhnik, A.A.2    Bagatur'Yants, A.A.3
  • 26
    • 28744435640 scopus 로고    scopus 로고
    • Theory of atomic-scale dielectric permittivity at insulator interfaces
    • Giustino F, Pasquarello A (2005) Theory of atomic-scale dielectric permittivity at insulator interfaces. Phys Rev B 71:144104
    • (2005) Phys Rev B , vol.71 , pp. 144104
    • Giustino, F.1    Pasquarello, A.2
  • 27
    • 1042265903 scopus 로고    scopus 로고
    • Dielectric discontinuity at interfaces in the atomic-scale limit: Permittivity of ultrathin oxide films on silicon
    • Giustino F, Umari P, Pasquarello A (2003) Dielectric discontinuity at interfaces in the atomic-scale limit: permittivity of ultrathin oxide films on silicon. Phys Rev Lett 91:267601
    • (2003) Phys Rev Lett , vol.91 , pp. 267601
    • Giustino, F.1    Umari, P.2    Pasquarello, A.3
  • 28
    • 0039436914 scopus 로고    scopus 로고
    • 2 and Si-O-N gate dielectric layers for silicon microelectronics: Understanding the processing, structure, and physical and electrical limits
    • DOI 10.1063/1.1385803
    • Green ML, Gusev EP, Degreave R et al (2001) Ultrathin (4 nm) SiO2 and Si-O-N gate dielectric layers for silicon microelectronics: understanding the processing, structure, and physical and electrical limits. J Appl Phys 90:2057-2121 (Pubitemid 33600615)
    • (2001) Journal of Applied Physics , vol.90 , Issue.5 , pp. 2057-2121
    • Green, M.L.1    Gusev, E.P.2    Degraeve, R.3    Garfunkel, E.L.4
  • 29
    • 33749473337 scopus 로고    scopus 로고
    • Toward computational materials design: The impact of density functional theory on materials research
    • Hafner J, Wolverton C, Ceder G (2006) Toward computational materials design: the impact of density functional theory on materials research. MRS Bull 31:659-665
    • (2006) MRS Bull , vol.31 , pp. 659-665
    • Hafner, J.1    Wolverton, C.2    Ceder, G.3
  • 30
    • 10644250257 scopus 로고
    • Inhomogeneous electron gas
    • Hohenberg P, Kohn W (1964) Inhomogeneous electron gas. Phys Rev 136:B864-B871
    • (1964) Phys Rev , vol.136
    • Hohenberg, P.1    Kohn, W.2
  • 31
    • 0020761384 scopus 로고
    • Electrical conduction and carrier traps in polymeric materials
    • Ieda M (1984) Electrical conduction and carrier traps in polymeric materials. Trans IEEE EI- 19:162-178 (Pubitemid 15467163)
    • (1983) IEEE transactions on electrical insulation , vol.EI-19 , Issue.3 , pp. 162-178
    • Ieda, M.1
  • 33
    • 59249105270 scopus 로고    scopus 로고
    • Ab initio examination of ductility features of fcc metals
    • Kamran S, Chen K, Chen L (2009) Ab initio examination of ductility features of fcc metals. Phys Rev B 79:024106
    • (2009) Phys Rev B , vol.79 , pp. 024106
    • Kamran, S.1    Chen, K.2    Chen, L.3
  • 34
    • 0036505951 scopus 로고    scopus 로고
    • Interface phenomena in stator winding insulation-Challenges in design, diagnosis, and service experience
    • DOI 10.1109/57.995396
    • Kaufhold M, Schafer K, Bauer K et al (2002) Interface phenomena in stator winding insulation -Challenges in design, diagnosis, and service experience. IEEE Electr Insul Mag 18:27-36 (Pubitemid 34515319)
    • (2002) IEEE Electrical Insulation Magazine , vol.18 , Issue.2 , pp. 27-36
    • Kaufhold, M.1    Schafer, K.2    Bauer, K.3    Bethge, A.4    Risse, J.5
  • 35
    • 3543103556 scopus 로고
    • Theory of polarization of crystalline solids
    • King-Smith RD, Vanderbilt D (1993) Theory of polarization of crystalline solids. Phys Rev B 47:1651-1654
    • (1993) Phys Rev B , vol.47 , pp. 1651-1654
    • King-Smith, R.D.1    Vanderbilt, D.2
  • 36
    • 0034739021 scopus 로고    scopus 로고
    • Alternative dielectrics to silicon dioxide for memory and logic devices
    • Kingon AI, Maria JP, Streiffer SK (2000) Alternative dielectrics to silicon dioxide for memory and logic devices. Nature 406:1032-1038
    • (2000) Nature , vol.406 , pp. 1032-1038
    • Kingon, A.I.1    Maria, J.P.2    Streiffer, S.K.3
  • 37
    • 33746287468 scopus 로고    scopus 로고
    • Segregation trends of the metal alloys Mo-Re and Mo-Pt on HfO2: A first-principles study
    • Knizhnik AA, Gavrikov AV, Safonov AA et al (2006a) Segregation trends of the metal alloys Mo-Re and Mo-Pt on HfO2: a first-principles study. J Appl Phys 100:013506
    • (2006) J Appl Phys , vol.100 , pp. 013506
    • Knizhnik, A.A.1    Gavrikov, A.V.2    Safonov, A.A.3
  • 38
    • 33646753781 scopus 로고    scopus 로고
    • First-principles investigation of the WC/HfO2 interface properties
    • Knizhnik AA, Safonov AA, Iskandarova IM et al (2006b) First-principles investigation of the WC/HfO2 interface properties. J Appl Phys 99:084-104
    • (2006) J Appl Phys , vol.99 , pp. 084-104
    • Knizhnik, A.A.1    Safonov, A.A.2    Iskandarova, I.M.3
  • 39
    • 0035500888 scopus 로고    scopus 로고
    • First-principles study of the electronic properties of transition metal nitride surfaces
    • DOI 10.1016/S0039-6028(01)01280-8, PII S0039602801012808
    • Kobayashi K (2001) First-principles study of the electronic properties of transition metal nitride surfaces. Surf Sci 493:665-670 (Pubitemid 32943536)
    • (2001) Surface Science , vol.493 , Issue.1-3 , pp. 665-670
    • Kobayashi, K.1
  • 40
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn W, Sham LJ (1965) Self-consistent equations including exchange and correlation effects. Phys Rev 140:A1133-A1138
    • (1965) Phys Rev , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 41
    • 0001481661 scopus 로고
    • External fields in the self-consistent theory of electronic states: A new method for direct evaluation of macroscopic and microscopic dielectric response
    • Kunc K, Resta R (1983) External fields in the self-consistent theory of electronic states: a new method for direct evaluation of macroscopic and microscopic dielectric response. Phys Rev Lett 51:686-689
    • (1983) Phys Rev Lett , vol.51 , pp. 686-689
    • Kunc, K.1    Resta, R.2
  • 42
    • 1642280303 scopus 로고    scopus 로고
    • Chemical structure of the interface in ultrathin HfO2/Si films
    • Lee JC, Oh SJ, Cho MJ et al (2004) Chemical structure of the interface in ultrathin HfO2/Si films. Appl Phys Lett 84:1305-1307
    • (2004) Appl Phys Lett , vol.84 , pp. 1305-1307
    • Lee, J.C.1    Oh, S.J.2    Cho, M.J.3
  • 43
    • 0000440872 scopus 로고
    • Structure and elastic properties of quartz at pressure
    • Levien L, Prewitt CT, Weidner DJ (1980) Structure and elastic properties of quartz at pressure. Am Miner 65:920-930
    • (1980) Am Miner , vol.65 , pp. 920-930
    • Levien, L.1    Prewitt, C.T.2    Weidner, D.J.3
  • 44
    • 0028530519 scopus 로고
    • Nanometric dielectrics
    • Lewis TJ (1994) Nanometric dielectrics. Trans IEEE DEI-1:812-825
    • (1994) Trans IEEE DEI , vol.1 , pp. 812-825
    • Lewis, T.J.1
  • 45
    • 9144248614 scopus 로고    scopus 로고
    • Interfaces are the dominant feature of dielectrics at the nanometric level
    • Lewis TJ (2004) Interfaces are the dominant feature of dielectrics at the nanometric level. Trans IEEEDEI-11:739-753
    • (2004) Trans IEEEDEI , vol.11 , pp. 739-753
    • Lewis, T.J.1
  • 46
    • 25844479330 scopus 로고    scopus 로고
    • Dielectric breakdown mechanisms in gate oxides
    • Lombardo S, Stathis JH, Linder BP et al (2005) Dielectric breakdown mechanisms in gate oxides. J Appl Phys 98:121301
    • (2005) J Appl Phys , vol.98 , pp. 121301
    • Lombardo, S.1    Stathis, J.H.2    Linder, B.P.3
  • 47
    • 0036437106 scopus 로고    scopus 로고
    • Shape control of colloidal semiconductor nanocrystals
    • DOI 10.1023/A:1021175612112
    • Manna L, Scher EC, Alivisatos AP (2002) Shape control of colloidal semiconductor nanocrystals. J Cluster Sci 13:521-532 (Pubitemid 37268296)
    • (2002) Journal of Cluster Science , vol.13 , Issue.4 , pp. 521-532
    • Manna, L.1    Scher, E.C.2    Paul Alivisatos, A.3
  • 48
    • 17044393555 scopus 로고    scopus 로고
    • First-principles modeling of unpassivated and surfactant-passivated bulk facets of wurtzite CdSe: A model system for studying the anisotropic growth of CdSe nanocrystals
    • DOI 10.1021/jp0445573
    • Manna L, Wang LW, Cingolani R et al (2005) First-principles modeling of unpassivated and surfactant-passivated bulk facets of wurtzite CdSe: a model system for studying the anisotropic rowth of CdSe nanocrystals. J Phys Chem B 109:6183-6192 (Pubitemid 40496829)
    • (2005) Journal of Physical Chemistry B , vol.109 , Issue.13 , pp. 6183-6192
    • Manna, L.1    Wang, L.W.2    Cingolani, R.3    Alivisatos, A.P.4
  • 51
    • 0042527442 scopus 로고    scopus 로고
    • Trends in the ultimate breakdown strength of high dielectric constant materials
    • McPherson JW, Kim J, Shanware A et al (2003) Trends in the ultimate breakdown strength of high dielectric constant materials. Trans IEEE ED-50:1771-1778
    • (2003) Trans IEEE ED , vol.50 , pp. 1771-1778
    • McPherson, J.W.1    Kim, J.2    Shanware, A.3
  • 52
    • 0034225546 scopus 로고    scopus 로고
    • Molecular modeling of electron trapping in polymer insulators
    • Meunier M, Quirke N (2000) Molecular modeling of electron trapping in polymer insulators. J Chem Phys 113:369-376
    • (2000) J Chem Phys , vol.113 , pp. 369-376
    • Meunier, M.1    Quirke, N.2
  • 53
    • 0035827986 scopus 로고    scopus 로고
    • Molecular modeling of electron traps in polymer insulators: Chemical defects and impurities
    • DOI 10.1063/1.1385160
    • Meunier M, Quirke N, Aslanides A (2001) Molecular modeling of electron traps in polymer insulators: chemical defects and impurities. J Chem Phys 115:2876-2881 (Pubitemid 32775084)
    • (2001) Journal of Chemical Physics , vol.115 , Issue.6 , pp. 2876-2881
    • Meunier, M.1    Quirke, N.2    Aslanides, A.3
  • 54
    • 0000659435 scopus 로고    scopus 로고
    • Conformation and electronic structure of polyethylene: A density-functional approach
    • Miao MS, Van Camp PE, Van Doren VE et al (1996) Conformation and electronic structure of polyethylene: a density-functional approach. Phys Rev B 54:10430-10435
    • (1996) Phys Rev B , vol.54 , pp. 10430-10435
    • Miao, M.S.1    Van Camp, P.E.2    Van Doren, V.E.3
  • 55
    • 36749118640 scopus 로고
    • Diffusivity of oxygen in silicon during steam oxidation
    • Mikkelsen JC (1982) Diffusivity of oxygen in silicon during steam oxidation. Appl Phys Lett 40:336-337
    • (1982) Appl Phys Lett , vol.40 , pp. 336-337
    • Mikkelsen, J.C.1
  • 56
    • 0000756129 scopus 로고
    • Quantum Monte Carlo of nitrogen: Atom, dimer, atomic, and molecular solids
    • MMs L, Martin RM (1994) Quantum monte carlo of nitrogen: atom, dimmer, atomic, and molecular solids. Phys Rev Lett 72:2438-2441 (Pubitemid 24975179)
    • (1994) Physical Review Letters , vol.72 , Issue.15 , pp. 2438-2441
    • Mitas, L.1    Martin, R.M.2
  • 57
    • 0031552539 scopus 로고    scopus 로고
    • Density functional study of crystalline polyethylene
    • PII S0009261497004557
    • Montanari B, Jones RO (1997) Density functional study of crystalline polyethylene. Chem Phys Lett 272:347-352 (Pubitemid 127161196)
    • (1997) Chemical Physics Letters , vol.272 , Issue.5-6 , pp. 347-352
    • Montanari, B.1    Jones, R.O.2
  • 58
    • 25144484310 scopus 로고    scopus 로고
    • Dielectric enhancement in polymer-nanoparticle composites through interphase polarizability
    • Murugaraj P, Mainwaring D, Mora-Huertas N (2005) Dielectric enhancement in polymer-nanoparticle composites through interphase polarizability. J Appl Phys 98:054304
    • (2005) J Appl Phys , vol.98 , pp. 054304
    • Murugaraj, P.1    Mainwaring, D.2    Mora-Huertas, N.3
  • 60
    • 34247153439 scopus 로고    scopus 로고
    • Study of electrical and microstructure properties of high dielectric hafnium oxide thin film for MOS devices
    • DOI 10.1007/s10854-006-9111-6
    • Nahar RK, Singh V, Sharma A (2007) Study of electrical and microstructure properties of high dielectric hafnium oxide thin film for MOS devices. J Mater Sci Mater Electron 18:615-619 (Pubitemid 46592468)
    • (2007) Journal of Materials Science: Materials in Electronics , vol.18 , Issue.6 , pp. 615-619
    • Nahar, R.K.1    Singh, V.2    Sharma, A.3
  • 62
    • 0035814375 scopus 로고    scopus 로고
    • Synthesis of monodisperse nanoparticles of barium titanate: Toward a generalized strategy of oxide nanoparticle synthesis
    • O'Brian S, Brus L, Murray CB (2001) Synthesis of monodisperse nanoparticles of barium titanate: toward a generalized strategy of oxide nanoparticle synthesis. J Am Chem Soc 123:1208512086
    • (2001) J Am Chem Soc , vol.123 , pp. 1208512086
    • O'Brian, S.1    Brus, L.2    Murray, C.B.3
  • 64
    • 0142026383 scopus 로고    scopus 로고
    • Chemistry and band offsets of HfO2 thin films for gate insulators
    • Oshima M, Toyoda S, Okumura T (2003) Chemistry and band offsets of HfO2 thin films for gate insulators. Appl Phys Lett 83:2172-2174
    • (2003) Appl Phys Lett , vol.83 , pp. 2172-2174
    • Oshima, M.1    Toyoda, S.2    Okumura, T.3
  • 65
    • 33645580725 scopus 로고    scopus 로고
    • The method of increments - A wavefunction-based ab initio correlation method for solids
    • DOI 10.1016/j.physrep.2006.01.003, PII S0370157306000330
    • Paulus B (2006) The method of increments - a wavefunction-based ab initio correlation method for solids. Phys Rep 428:1-52 (Pubitemid 43510106)
    • (2006) Physics Reports , vol.428 , Issue.1 , pp. 1-52
    • Paulus, B.1
  • 66
    • 18744406968 scopus 로고    scopus 로고
    • Band offsets and Schottky barrier heights of high dielectric constant oxides
    • Peacock PW, Robertson J (2002) Band offsets and Schottky barrier heights of high dielectric constant oxides. J Appl Phys 92:4712-4721
    • (2002) J Appl Phys , vol.92 , pp. 4712-4721
    • Peacock, P.W.1    Robertson, J.2
  • 67
    • 1642330111 scopus 로고    scopus 로고
    • Bonding, energies, and band offsets of Si-ZrO2 and HfO2 gate oxide interfaces
    • Peacock PW, Robertson J (2004) Bonding, energies, and band offsets of Si-ZrO2 and HfO2 gate oxide interfaces. Phys Rev Lett 92:057601
    • (2004) Phys Rev Lett , vol.92 , pp. 057601
    • Peacock, P.W.1    Robertson, J.2
  • 68
    • 33644520929 scopus 로고    scopus 로고
    • Bonding and interface states of Si : HfO2 and Si : ZrO2 interfaces
    • Peacock PW, Xiong K, Tse K et al (2006) Bonding and interface states of Si : HfO2 and Si : ZrO2 interfaces. Phys Rev B 73:075328
    • (2006) Phys Rev B , vol.73 , pp. 075328
    • Peacock, P.W.1    Xiong, K.2    Tse, K.3
  • 69
    • 33846450287 scopus 로고    scopus 로고
    • Anomalous behavior of the dielectric constant of hafnium silicates: A first principles study
    • Pignedoli CA, Curioni A, Andreoni W (2007) Anomalous behavior of the dielectric constant of hafnium silicates: a first principles study. Phys Rev Lett 98:037602
    • (2007) Phys Rev Lett , vol.98 , pp. 037602
    • Pignedoli, C.A.1    Curioni, A.2    Andreoni, W.3
  • 70
    • 61649117524 scopus 로고    scopus 로고
    • Oxygen adsorption on CdSe surfaces: Case study of asymmetric anisotropic growth through ab initio computations
    • Pilania G, Sadowski T, Ramprasad R (2009) Oxygen adsorption on CdSe surfaces: case study of asymmetric anisotropic growth through ab initio computations. J Phys Chem C 113:1863-1871
    • (2009) J Phys Chem C , vol.113 , pp. 1863-1871
    • Pilania, G.1    Sadowski, T.2    Ramprasad, R.3
  • 71
    • 4944250746 scopus 로고    scopus 로고
    • An accurate determination of barrier heights at the HfO2/Si interfaces
    • Puthenkovilakam R, Chang JP (2004) An accurate determination of barrier heights at the HfO2/Si interfaces. J Appl Phys 96:2701-2707
    • (2004) J Appl Phys , vol.96 , pp. 2701-2707
    • Puthenkovilakam, R.1    Chang, J.P.2
  • 72
    • 42749100720 scopus 로고    scopus 로고
    • First-principles exploration of alternative gate dielectrics: Electronic structure of ZrO2/Si and ZrSiO4/Si interfaces
    • Puthenkovilakam R, Carter EA, Chang JP (2004) First-principles exploration of alternative gate dielectrics: electronic structure of ZrO2/Si and ZrSiO4/Si interfaces. Phys Rev B 69:155329
    • (2004) Phys Rev B , vol.69 , pp. 155329
    • Puthenkovilakam, R.1    Carter, E.A.2    Chang, J.P.3
  • 73
    • 32944478745 scopus 로고    scopus 로고
    • Phase separation and interfacial reaction of high-k HfAlOx films prepared by pulsed-laser deposition in oxygen-deficient ambient
    • Qiu XY, Liu HW, Fang F (2006) Phase separation and interfacial reaction of high-k HfAlOx films prepared by pulsed-laser deposition in oxygen-deficient ambient. Appl Phys Lett 88:072906
    • (2006) Appl Phys Lett , vol.88 , pp. 072906
    • Qiu, X.Y.1    Liu, H.W.2    Fang, F.3
  • 74
    • 85038906695 scopus 로고    scopus 로고
    • Quasiparticle band structures and optical spectra of "-cristobalite SiO2
    • Ramos LE, Furthmuller J, Bechstedt F (2004) Quasiparticle band structures and optical spectra of "-cristobalite SiO2. Phys Rev B 69:085102
    • (2004) Phys Rev B , vol.69 , pp. 085102
    • Ramos, L.E.1    Furthmuller, J.2    Bechstedt, F.3
  • 75
    • 0030189026 scopus 로고    scopus 로고
    • CO on Pd(110): Determination of the optimal adsorption site
    • PII S0039602896006000
    • Ramprasad R, Glassford KM, Adams JB et al (1996) CO on Pd(110): determination of the optimal adsorption site. Surf Sci 360:31-42 (Pubitemid 126393071)
    • (1996) Surface Science , vol.360 , Issue.1-3 , pp. 31-42
    • Ramprasad, R.1    Glassford, K.M.2    Adams, J.B.3    Masel, R.I.4
  • 76
    • 33749158673 scopus 로고    scopus 로고
    • Dielectric properties of nanoscale HfO2 slabs
    • Ramprasad R, Shi N (2005) Dielectric properties of nanoscale HfO2 slabs. Phys Rev B 72:052107
    • (2005) Phys Rev B , vol.72 , pp. 052107
    • Ramprasad, R.1    Shi, N.2
  • 77
    • 34547455192 scopus 로고    scopus 로고
    • Phase equilibria in high energy density PVDF-based polymers
    • Ranjan V, Yu L, Nardelli MB et al (2007) Phase equilibria in high energy density PVDF-based polymers. Phys Rev Lett 99:047801
    • (2007) Phys Rev Lett , vol.99 , pp. 047801
    • Ranjan, V.1    Yu, L.2    Nardelli, M.B.3
  • 78
    • 1842763692 scopus 로고    scopus 로고
    • Material Characterization of a High-Dielectric-Constant Polymer-Ceramic Composite for Embedded Capacitor for RF Applications
    • DOI 10.1002/app.13690
    • Rao Y, Wong CP (2004) Material characterization of a high-dielectric constant polymer-ceramic composite for embedded capacitor for RF applications. J Appl Polym Sci 92:2228-2231 (Pubitemid 38476089)
    • (2004) Journal of Applied Polymer Science , vol.92 , Issue.4 , pp. 2228-2231
    • Rao, Y.1    Wong, C.P.2
  • 79
    • 0242407166 scopus 로고    scopus 로고
    • Polymer/layered silicate nanocomposites: A review from preparation to processing
    • Ray SS, Okamoto M (2003) Polymer/layered silicate nanocomposites: a review from preparation to processing. Prog Polym Sci 28:1539-1641
    • (2003) Prog Polym Sci , vol.28 , pp. 1539-1641
    • Ray, S.S.1    Okamoto, M.2
  • 80
    • 33749669637 scopus 로고    scopus 로고
    • Density functional theory study of ligand binding on CdSe (0001), (0001), and (11-20) single crystal relaxed and reconstructed surfaces: Implications for nanocrystalline growth
    • DOI 10.1021/jp064051f
    • Rempel JY, Trout BL, Bawendi MG et al (2006) Density functional theory study of ligand binding on CdSe (0001), (000-1), and (11-20) single crystal relaxed and reconstructed surfaces: implications for nanocrystalline growth. J Phys Chem B 110:18007-18016 (Pubitemid 44555474)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.36 , pp. 18007-18016
    • Rempel, J.Y.1    Trout, B.L.2    Bawendi, M.G.3    Jensen, K.F.4
  • 81
    • 4544299449 scopus 로고    scopus 로고
    • Electronics of SiO2/HfO2 interface by soft x-ray photoe-mission spectroscopy
    • Renault O, Barrett NT, Samour D (2004) Electronics of SiO2/HfO2 interface by soft x-ray photoe-mission spectroscopy. Surf Sci 566:526-531
    • (2004) Surf Sci , vol.566 , pp. 526-531
    • Renault, O.1    Barrett, N.T.2    Samour, D.3
  • 82
    • 12044256522 scopus 로고
    • Macroscopic polarization in crystalline dielectrics: The geometric phase approach
    • Resta R (1994) Macroscopic polarization in crystalline dielectrics: the geometric phase approach. Rev Mod Phys 66:899-915
    • (1994) Rev Mod Phys , vol.66 , pp. 899-915
    • Resta, R.1
  • 83
    • 35348837452 scopus 로고    scopus 로고
    • Surface states and negative electron affinity in polyethylene
    • Righi MC, Scandolo S, Serra S et al (2001) Surface states and negative electron affinity in polyethylene. Phys Rev Lett 87:076802
    • (2001) Phys Rev Lett , vol.87 , pp. 076802
    • Righi, M.C.1    Scandolo, S.2    Serra, S.3
  • 84
    • 0035494363 scopus 로고    scopus 로고
    • First-principles study of dynamical and dielectric properties of tetragonal zirconia
    • Rignanese GM, Detraux F, Gonze X et al (2001) First-principles study of dynamical and dielectric properties of tetragonal zirconia. Phys Rev B 64:134301
    • (2001) Phys Rev B , vol.64 , pp. 134301
    • Rignanese, G.M.1    Detraux, F.2    Gonze, X.3
  • 85
    • 37649026786 scopus 로고    scopus 로고
    • First-principles investigation of high-k dielectrics: Comparison between the silicates and oxides of hafnium and zirconium
    • Rignanese GM, Gonze X, Jun G et al (2004) First-principles investigation of high-k dielectrics: comparison between the silicates and oxides of hafnium and zirconium. Phys Rev B 69:184301
    • (2004) Phys Rev B , vol.69 , pp. 184301
    • Rignanese, G.M.1    Gonze, X.2    Jun, G.3
  • 86
    • 33746281113 scopus 로고    scopus 로고
    • Band offsets of high K gate oxides on III-V semiconductors
    • Robertson J, Falabretti B (2006) Band offsets of high K gate oxides on III-V semiconductors. J Appl Phys 100:014111
    • (2006) J Appl Phys , vol.100 , pp. 014111
    • Robertson, J.1    Falabretti, B.2
  • 87
    • 28044473015 scopus 로고    scopus 로고
    • Band gaps and defect levels in functional oxides
    • DOI 10.1016/j.tsf.2005.08.175, PII S0040609005014082, Proceedings of the Fourth International Symposium on Transparent Oxide Thin Film for Electronics and Optics (TOEO-4)
    • Robertson J, Xiong K, Clark SJ (2006) Band gaps and defect levels in functional oxides. Thin Solid Films 496:1-7 (Pubitemid 41689856)
    • (2006) Thin Solid Films , vol.496 , Issue.1 , pp. 1-7
    • Robertson, J.1    Xiong, K.2    Clark, S.J.3
  • 88
    • 34848861772 scopus 로고    scopus 로고
    • Fermi level pinning by defects in HfO2-metal gate stacks
    • Robertson J, Sharia O, Demkov AA (2007) Fermi level pinning by defects in HfO2-metal gate stacks. Appl Phys Lett 91:132912
    • (2007) Appl Phys Lett , vol.91 , pp. 132912
    • Robertson, J.1    Sharia, O.2    Demkov, A.A.3
  • 89
    • 27744530931 scopus 로고    scopus 로고
    • Polymer nanocomposite dielectrics - The role ofthe interface
    • Roy M, Nelson JK, MacCrone RK etal (2005) Polymer nanocomposite dielectrics -the role ofthe interface. Trans IEEE DEI-12:629-643
    • (2005) Trans IEEE DEI , vol.12 , pp. 629-643
    • Roy, M.1    Nelson, J.K.2    Maccrone, R.K.3
  • 90
    • 33748135627 scopus 로고    scopus 로고
    • Work functions of self-assembled monolayers on metal surfaces by first-principles calculations
    • Rusu PC, Brocks G (2006) Work functions of self-assembled monolayers on metal surfaces by first-principles calculations. Phys Rev B 74:073414
    • (2006) Phys Rev B , vol.74 , pp. 073414
    • Rusu, P.C.1    Brocks, G.2
  • 92
    • 0001538216 scopus 로고    scopus 로고
    • Interchain electron states in polyethylene
    • Serra S, Tosatti E, Iarlori S et al (2000) Interchain electron states in polyethylene. Phys Rev B 62:4389-4393
    • (2000) Phys Rev B , vol.62 , pp. 4389-4393
    • Serra, S.1    Tosatti, E.2    Iarlori, S.3
  • 93
    • 18144384439 scopus 로고    scopus 로고
    • Ab initio design of high-k dielectrics: LaxYj-xAlO3
    • Shevlin SA, Curioni A, Andreoni W (2005) Ab initio design of high-k dielectrics: LaxYj-xAlO3. Phys Rev Lett 94:146401.
    • (2005) Phys Rev Lett , vol.94 , pp. 146401
    • Shevlin, S.A.1    Curioni, A.2    Andreoni, W.3
  • 95
    • 29744455617 scopus 로고    scopus 로고
    • Dielectric properties of ultrathin SiO2 slabs
    • Shi N, Ramprasad R (2005) Dielectric properties of ultrathin SiO2 slabs. Appl Phys Lett 87:262102
    • (2005) Appl Phys Lett , vol.87 , pp. 262102
    • Shi, N.1    Ramprasad, R.2
  • 96
    • 33746168594 scopus 로고    scopus 로고
    • Atomic-scale dielectric permittivity profiles in slabs and multilayers
    • Shi N, Ramprasad R (2006) Atomic-scale dielectric permittivity profiles in slabs and multilayers. Phys Rev B 74:045318
    • (2006) Phys Rev B , vol.74 , pp. 045318
    • Shi, N.1    Ramprasad, R.2
  • 97
    • 37149054337 scopus 로고    scopus 로고
    • Local dielectric permittivity of HfO2 based slabs and stacks: A first principles study
    • Shi N, Ramprasad R (2007) Local dielectric permittivity of HfO2 based slabs and stacks: a first principles study. Appl Phys Lett 91:242906
    • (2007) Appl Phys Lett , vol.91 , pp. 242906
    • Shi, N.1    Ramprasad, R.2
  • 98
    • 38949100431 scopus 로고    scopus 로고
    • Local properties at interfaces in nanodielectrics: An ab initio computational study
    • DOI 10.1109/T-DEI.2008.4446748
    • Shi N, Ramprasad R (2008a) Local properties at interfaces in nanodielectrics: an ab initio computational study. Trans IEEE DEI-15:170-177 (Pubitemid 351225209)
    • (2008) IEEE Transactions on Dielectrics and Electrical Insulation , vol.15 , Issue.1 , pp. 170-177
    • Shi, N.1    Ramprasad, R.2
  • 99
    • 84892791507 scopus 로고    scopus 로고
    • Program on technology innovation: Computational investigation of XLPE with SiO2 nanofillers
    • Shi N, Ramprasad R (2008b) Program on technology innovation: computational investigation of XLPE with SiO2 nanofillers. EPRI Technical Update
    • (2008) EPRI Technical Update
    • Shi, N.1    Ramprasad, R.2
  • 100
    • 37249050372 scopus 로고    scopus 로고
    • Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections
    • Shishkin M, Marsman M, Kresse G (2007) Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections. Phys Rev Lett 99:246403
    • (2007) Phys Rev Lett , vol.99 , pp. 246403
    • Shishkin, M.1    Marsman, M.2    Kresse, G.3
  • 101
    • 0042852443 scopus 로고
    • Theoretical study on the high-pressure phase transformation in ZnSe
    • Smelyansky VI, Tse JS (1995) Theoretical study on the high-pressure phase transformation in ZnSe. Phys Rev B 52:4658-4661
    • (1995) Phys Rev B , vol.52 , pp. 4658-4661
    • Smelyansky, V.I.1    Tse, J.S.2
  • 102
    • 0001637205 scopus 로고
    • Electronic structures of polyethylene and polytetrafluoroethylene
    • Springborg M, Lev M (1989) Electronic structures of polyethylene and polytetrafluoroethylene. Phys Rev B 40:3333-3339
    • (1989) Phys Rev B , vol.40 , pp. 3333-3339
    • Springborg, M.1    Lev, M.2
  • 103
    • 0037466302 scopus 로고    scopus 로고
    • Performance of the Vienna ab initio simulation package (VASP) in chemical applications
    • Sun G, Kurti J, Rajczy P et al (2003) Performance of the Vienna ab initio simulation package (VASP) in chemical applications. J Mol Struct (Theochem) 624:37-45
    • (2003) J Mol Struct (Theochem) , vol.624 , pp. 37-45
    • Sun, G.1    Kurti, J.2    Rajczy, P.3
  • 104
    • 34347385632 scopus 로고    scopus 로고
    • Ab initio study of oxygen interstitial diffusion near Si : HfO2 interfaces
    • Tang C, Ramprasad R (2007) Ab initio study of oxygen interstitial diffusion near Si : HfO2 interfaces. Phys Rev B 75:241302
    • (2007) Phys Rev B , vol.75 , pp. 241302
    • Tang, C.1    Ramprasad, R.2
  • 105
    • 42349116571 scopus 로고    scopus 로고
    • A study of Hf vacancies at Si : HfO2 heterojunctions
    • Tang C, Ramprasad R (2008a) A study of Hf vacancies at Si : HfO2 heterojunctions. Appl Phys Lett 92:152911
    • (2008) Appl Phys Lett , vol.92 , pp. 152911
    • Tang, C.1    Ramprasad, R.2
  • 106
    • 43349093488 scopus 로고    scopus 로고
    • Oxygen defect accumulation at Si : HfO2 interfaces
    • Tang C, Ramprasad R (2008b) Oxygen defect accumulation at Si : HfO2 interfaces. Appl Phys Lett 92:182908
    • (2008) Appl Phys Lett , vol.92 , pp. 182908
    • Tang, C.1    Ramprasad, R.2
  • 107
    • 34547979214 scopus 로고    scopus 로고
    • Diffusion of O vacancies near Si : HfO2 interfaces: An ab initio investigation
    • Tang C, Tuttle B, Ramprasad R (2007) Diffusion of O vacancies near Si : HfO2 interfaces: an ab initio investigation. Phys Rev B 76:073306
    • (2007) Phys Rev B , vol.76 , pp. 073306
    • Tang, C.1    Tuttle, B.2    Ramprasad, R.3
  • 108
    • 28744444117 scopus 로고    scopus 로고
    • Charge transport modeling in insulating polymers: From molecular to macroscopic scale
    • Teyssedre G, Laurent C (2005) Charge transport modeling in insulating polymers: from molecular to macroscopic scale. Trans IEEE DEI-12:857-875
    • (2005) Trans IEEE DEI , vol.12 , pp. 857-875
    • Teyssedre, G.1    Laurent, C.2
  • 109
    • 34347387977 scopus 로고    scopus 로고
    • First-principles study of the valence band offset between silicon and hafnia
    • Tuttle BR, Tang C, Ramprasad R (2007) First-principles study of the valence band offset between silicon and hafnia. Phys Rev B 75:235324
    • (2007) Phys Rev B , vol.75 , pp. 235324
    • Tuttle, B.R.1    Tang, C.2    Ramprasad, R.3
  • 110
    • 0000932641 scopus 로고
    • Low-energy electron transmission and secondary-electron emission experiments on crystalline and molten long-chain alkanes
    • Ueno N, Sugita K, Seki K et al (1986) Low-energy electron transmission and secondary-electron emission experiments on crystalline and molten long-chain alkanes. Phys Rev B 34:6386-6393
    • (1986) Phys Rev B , vol.34 , pp. 6386-6393
    • Ueno, N.1    Sugita, K.2    Seki, K.3
  • 111
    • 0037037908 scopus 로고    scopus 로고
    • Ab initio molecular dynamics in a finite homogeneous electric field
    • Umari P, Pasquarello A (2002) Ab initio molecular dynamics in a finite homogeneous electric field. Phys Rev Lett 89:157602
    • (2002) Phys Rev Lett , vol.89 , pp. 157602
    • Umari, P.1    Pasquarello, A.2
  • 112
    • 4344630118 scopus 로고
    • Theoretical study of band offsets at semiconductor interfaces
    • Van de Walle CG, Martin RM (1987) Theoretical study of band offsets at semiconductor interfaces. Phys Rev B 35:8154-8165
    • (1987) Phys Rev B , vol.35 , pp. 8154-8165
    • Van De Walle, C.G.1    Martin, R.M.2
  • 113
    • 29744434208 scopus 로고    scopus 로고
    • Dielectric properties of simple and complex oxides from first- principles
    • Demkov AA, Navrotsky A (eds). Springer, New York
    • Wagmare UV, Rabe KM (2005) Dielectric properties of simple and complex oxides from first- principles. In: Demkov AA, Navrotsky A (eds) Materials fundamentals of gate dielectrics. Springer, New York
    • (2005) Materials Fundamentals of Gate Dielectrics
    • Wagmare, U.V.1    Rabe, K.M.2
  • 114
    • 2342596361 scopus 로고    scopus 로고
    • High-kappa dielectric materials for microelectronics
    • Wallace RM, Wilk GD (2003) High-kappa dielectric materials for microelectronics. Crit Rev Solid State Mater Sci 28:231-285
    • (2003) Crit Rev Solid State Mater Sci , vol.28 , pp. 231-285
    • Wallace, R.M.1    Wilk, G.D.2
  • 115
    • 0035872897 scopus 로고    scopus 로고
    • High-κ gate dielectrics: Current status and materials properties considerations
    • DOI 10.1063/1.1361065
    • Wilk GD, Wallace RM, Anthony JM (2001) High-k gate dielectrics: current status and materials properties considerations. J Appl Phys 89:5243-5275 (Pubitemid 33598307)
    • (2001) Journal of Applied Physics , vol.89 , Issue.10 , pp. 5243-5275
    • Wilk, G.D.1    Wallace, R.M.2    Anthony, J.M.3
  • 118
    • 0037096520 scopus 로고    scopus 로고
    • First-principles study of structural, vibrational, and lattice dielectric properties of hafnium oxide
    • Zhao X, Vanderbilt D (2002a) First-principles study of structural, vibrational, and lattice dielectric properties of hafnium oxide. Phys Rev B 65:233106
    • (2002) Phys Rev B , vol.65 , pp. 233106
    • Zhao, X.1    Vanderbilt, D.2
  • 119
    • 0037084710 scopus 로고    scopus 로고
    • Phonons and lattice dielectric properties of zirconia
    • Zhao X, Vanderbilt D (2002b) Phonons and lattice dielectric properties of zirconia. Phys Rev B 65:075105
    • (2002) Phys Rev B , vol.65 , pp. 075105
    • Zhao, X.1    Vanderbilt, D.2
  • 120
    • 13644274262 scopus 로고    scopus 로고
    • Defect tolerance of solid dielectric transmission class cable
    • DOI 10.1109/MEI.2005.1389268
    • Zheng Z, Boggs S (2005) Defect tolerance of solid dielectric transmission class cable. IEEE Electr Insul Mag 21:35-41 (Pubitemid 40232041)
    • (2005) IEEE Electrical Insulation Magazine , vol.21 , Issue.1 , pp. 35-41
    • Zheng, Z.1    Boggs, S.2


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