메뉴 건너뛰기




Volumn 54, Issue 9, 2007, Pages 2079-2089

Atomistic simulation of realistically sized nanodevices using NEMO 3-D - Part I: Models and benchmarks

Author keywords

3 D NanoElectronic MOdeling (NEMO 3 D); Atomistic simulation; Keating model; Nanostructures; Piezoelectricity; Quantum computation; Strain; Tight binding; Valley splitting

Indexed keywords

COMPUTER SIMULATION; ELECTRON DEVICES; MATHEMATICAL MODELS; OPTIMIZATION; QUANTUM THEORY; SEMICONDUCTOR DEVICES; THREE DIMENSIONAL;

EID: 41749098089     PISSN: 00189383     EISSN: None     Source Type: Journal    
DOI: 10.1109/TED.2007.902879     Document Type: Article
Times cited : (224)

References (47)
  • 1
    • 33847643167 scopus 로고    scopus 로고
    • Valley-splitting in strained silicon quantum wells modeled with 2 degree miscuts, step disorder, and alloy disorder
    • Feb
    • N. Kharche, M. Prada, T. B. Boykin, and G. Klimeck, "Valley-splitting in strained silicon quantum wells modeled with 2 degree miscuts, step disorder, and alloy disorder," Appl. Phys. Lett., vol. 90, no. 9, p. 092 109, Feb. 2007.
    • (2007) Appl. Phys. Lett , vol.90 , Issue.9 , pp. 092-109
    • Kharche, N.1    Prada, M.2    Boykin, T.B.3    Klimeck, G.4
  • 4
    • 0001696967 scopus 로고
    • Observation of discrete electronic states in a zero-dimensional semiconductor nanostructure
    • Feb
    • M. A. Reed, J. N. Randall, R. J. Aggarwal, R. J. Matyi, T. M. Moore, and A. E. Wetsel, "Observation of discrete electronic states in a zero-dimensional semiconductor nanostructure," Phys. Rev. Lett., vol. 60, no. 6, pp. 535-537, Feb. 1988.
    • (1988) Phys. Rev. Lett , vol.60 , Issue.6 , pp. 535-537
    • Reed, M.A.1    Randall, J.N.2    Aggarwal, R.J.3    Matyi, R.J.4    Moore, T.M.5    Wetsel, A.E.6
  • 5
    • 0000739296 scopus 로고
    • Quantum Dots
    • M. A. Reed, "Quantum Dots," Sci. Amer., vol. 268, no. 1, p. 118, 1993.
    • (1993) Sci. Amer , vol.268 , Issue.1 , pp. 118
    • Reed, M.A.1
  • 6
    • 15744392270 scopus 로고    scopus 로고
    • G. Bester and A. Zunger, Cylindrically shaped zinc-blende semi-conductor quantum dots do not have cylindrical symmetry: Atomistic symmetry, atomic relaxation, and piezoelectric effects, Phys. Rev. B, Condens. Matter, 71, p. 045318, 2005. please see references therein.
    • G. Bester and A. Zunger, "Cylindrically shaped zinc-blende semi-conductor quantum dots do not have cylindrical symmetry: Atomistic symmetry, atomic relaxation, and piezoelectric effects," Phys. Rev. B, Condens. Matter, vol. 71, p. 045318, 2005. please see references therein.
  • 7
    • 0000993122 scopus 로고    scopus 로고
    • Comparison of two methods for describing the strain profiles in quantum dots
    • Mar
    • C. Pryor, J. Kim, L. W. Wang, A. J. Williamson, and A. Zunger, "Comparison of two methods for describing the strain profiles in quantum dots," J. Appl. Phys., vol. 83, no. 8, pp. 2548-2554, Mar. 1998.
    • (1998) J. Appl. Phys , vol.83 , Issue.8 , pp. 2548-2554
    • Pryor, C.1    Kim, J.2    Wang, L.W.3    Williamson, A.J.4    Zunger, A.5
  • 8
    • 0001558745 scopus 로고
    • InAs/GaAs pyramidal quantum dots: Strain distribution, optical phonons, and electronic structure
    • Oct
    • M. Grundmann, O. Stier, and D. Bimberg, "InAs/GaAs pyramidal quantum dots: Strain distribution, optical phonons, and electronic structure," Phys. Rev. B, Condens. Matter, vol. 52, no. 16, p. 11969, Oct. 1995.
    • (1995) Phys. Rev. B, Condens. Matter , vol.52 , Issue.16 , pp. 11969
    • Grundmann, M.1    Stier, O.2    Bimberg, D.3
  • 9
    • 0001089438 scopus 로고    scopus 로고
    • Electronic and optical properties of strained quantum dots modeled by 8-band k · p theory
    • Feb
    • O. Stier, M. Grundmann, and D. Bimberg, "Electronic and optical properties of strained quantum dots modeled by 8-band k · p theory," Phys. Rev. B, Condens. Matter, vol. 59, no. 8, p. 5688, Feb. 1999.
    • (1999) Phys. Rev. B, Condens. Matter , vol.59 , Issue.8 , pp. 5688
    • Stier, O.1    Grundmann, M.2    Bimberg, D.3
  • 10
    • 0002522266 scopus 로고    scopus 로고
    • Parallel empirical pseudopotential electronic structure calculations for million atom systems
    • May
    • A. Canning, L. W. Wang, A. Williamson, and A. Zunger, "Parallel empirical pseudopotential electronic structure calculations for million atom systems," J. Comput. Phys., vol. 160, no. 1, pp. 29-41, May 2000.
    • (2000) J. Comput. Phys , vol.160 , Issue.1 , pp. 29-41
    • Canning, A.1    Wang, L.W.2    Williamson, A.3    Zunger, A.4
  • 11
    • 0042463700 scopus 로고    scopus 로고
    • Development of a nanoelectronic 3-D (NEMO 3-D) simulator for multimillion atom simulations and its application to alloyed quantum dots
    • G. Klimeck, F. Oyafuso, T. Boykin, R. Bowen, and P. von Allmen, "Development of a nanoelectronic 3-D (NEMO 3-D) simulator for multimillion atom simulations and its application to alloyed quantum dots," Comput. Model. Eng. Sci., vol. 3, p. 601, 2002.
    • (2002) Comput. Model. Eng. Sci , vol.3 , pp. 601
    • Klimeck, G.1    Oyafuso, F.2    Boykin, T.3    Bowen, R.4    von Allmen, P.5
  • 12
    • 0042999324 scopus 로고    scopus 로고
    • Diagonal parameter shifts due to nearest-neighbor displacements in empirical tight-binding theory
    • Sep
    • T. B. Boykin, G. Klimeck, R. C. Bowen, and F. Oyafuso, "Diagonal parameter shifts due to nearest-neighbor displacements in empirical tight-binding theory," Phys. Rev. B, Condens. Matter, vol. 66, no. 12, p. 125 207, Sep. 2002.
    • (2002) Phys. Rev. B, Condens. Matter , vol.66 , Issue.12 , pp. 125-207
    • Boykin, T.B.1    Klimeck, G.2    Bowen, R.C.3    Oyafuso, F.4
  • 13
    • 0000339401 scopus 로고    scopus 로고
    • Electromagnetic coupling and gauge invariance in the empirical tight-binding method
    • Jun
    • T. B. Boykin, R. C. Bowen, and G. Klimeck, "Electromagnetic coupling and gauge invariance in the empirical tight-binding method," Phys. Rev. B, Condens. Matter, vol. 63, no. 24, p. 245 314, Jun. 2001.
    • (2001) Phys. Rev. B, Condens. Matter , vol.63 , Issue.24 , pp. 245-314
    • Boykin, T.B.1    Bowen, R.C.2    Klimeck, G.3
  • 14
    • 85038286290 scopus 로고    scopus 로고
    • Many-body levels of multiply charged and laser-excited InAs nanocrystals modeled by empirical tight binding
    • S. Lee, J. Kim, L. Jönsson, J. W. Wilkins, G. Bryant, and G. Klimeck, "Many-body levels of multiply charged and laser-excited InAs nanocrystals modeled by empirical tight binding," Phys. Rev. B, Condens. Matter, vol. 66, p. 235 307, 2002.
    • (2002) Phys. Rev. B, Condens. Matter , vol.66 , pp. 235-307
    • Lee, S.1    Kim, J.2    Jönsson, L.3    Wilkins, J.W.4    Bryant, G.5    Klimeck, G.6
  • 16
    • 0034187066 scopus 로고    scopus 로고
    • * tight-binding parameters for transport simulations in compound semi-conductors
    • May
    • * tight-binding parameters for transport simulations in compound semi-conductors," Superlattices Microstruct., vol. 27, no. 5, pp. 519-524, May 2000.
    • (2000) Superlattices Microstruct , vol.27 , Issue.5 , pp. 519-524
    • Klimeck, G.1    Bowen, R.C.2    Boykin, T.B.3    Cwik, T.A.4
  • 19
    • 2142713157 scopus 로고    scopus 로고
    • * empirical tight-binding model applied to a new Si and Ge parameterization
    • Mar
    • * empirical tight-binding model applied to a new Si and Ge parameterization," Phys. Rev. B, Condens. Matter, vol. 69, no. 11, p. 115 201, Mar. 2004.
    • (2004) Phys. Rev. B, Condens. Matter , vol.69 , Issue.11 , pp. 115-201
    • Boykin, T.B.1    Klimeck, G.2    Oyafuso, F.3
  • 20
    • 41749090795 scopus 로고    scopus 로고
    • Brillouin zone unfolding of perfect supercells composed of non-equivalent primitive cells
    • submitted for publication
    • T. B. Boykin, N. Kharche, and G. Klimeck, "Brillouin zone unfolding of perfect supercells composed of non-equivalent primitive cells," Phys. Rev. B, Condens. Matter. submitted for publication.
    • Phys. Rev. B, Condens. Matter
    • Boykin, T.B.1    Kharche, N.2    Klimeck, G.3
  • 24
    • 0034668666 scopus 로고    scopus 로고
    • A. J. Williamson, L. W. Wang, and A. Zunger, Theoretical interpretation of the experimental electronic structure of lens-shaped self-assembled InAs/GaAs quantum dots, Phys. Rev. B, Condens. Matter, 62, no. 19, pp. 12 963-12 977, Nov. 2000.
    • A. J. Williamson, L. W. Wang, and A. Zunger, "Theoretical interpretation of the experimental electronic structure of lens-shaped self-assembled InAs/GaAs quantum dots," Phys. Rev. B, Condens. Matter, vol. 62, no. 19, pp. 12 963-12 977, Nov. 2000.
  • 25
    • 10044235302 scopus 로고    scopus 로고
    • Effect of anharmonicity of the strain energy on band offsets in semi-conductor nanostructures
    • Nov
    • O. L. Lazarenkova, P. von Allmen, F. Oyafuso, S. Lee, and G. Klimeck, "Effect of anharmonicity of the strain energy on band offsets in semi-conductor nanostructures," Appl. Phys. Lett., vol. 85, no. 18, p. 4193, Nov. 2004.
    • (2004) Appl. Phys. Lett , vol.85 , Issue.18 , pp. 4193
    • Lazarenkova, O.L.1    von Allmen, P.2    Oyafuso, F.3    Lee, S.4    Klimeck, G.5
  • 26
    • 33744523802 scopus 로고    scopus 로고
    • Atomistic simulations of long-range strain and spatial asymmetry molecular states of seven quantum dots
    • M. Korkusinski and G. Klimeck, "Atomistic simulations of long-range strain and spatial asymmetry molecular states of seven quantum dots," J. Phys.: Conf. Ser., vol. 38, pp. 75-78, 2006.
    • (2006) J. Phys.: Conf. Ser , vol.38 , pp. 75-78
    • Korkusinski, M.1    Klimeck, G.2
  • 27
    • 0242389806 scopus 로고    scopus 로고
    • Strain effects in large-scale atomistic quantum dot simulations
    • Sep
    • F. Oyafuso, G. Klimeck, P. von Allmen, T. B. Boykin, and R. C. Bowen, "Strain effects in large-scale atomistic quantum dot simulations," Phys. Stat. Sol. B, vol. 239, no. 1, pp. 71-79, Sep. 2003.
    • (2003) Phys. Stat. Sol. B , vol.239 , Issue.1 , pp. 71-79
    • Oyafuso, F.1    Klimeck, G.2    von Allmen, P.3    Boykin, T.B.4    Bowen, R.C.5
  • 28
    • 33646875984 scopus 로고    scopus 로고
    • Disorder induced broadening in multimillion atom alloyed quantum dot systems
    • F. Oyafuso, G. Klimeck, R. C. Bowen, T. B. Boykin, and P. von Allmen, "Disorder induced broadening in multimillion atom alloyed quantum dot systems," Phys. Stat. Sol. C, vol. 4, p. 1149, 2003.
    • (2003) Phys. Stat. Sol. C , vol.4 , pp. 1149
    • Oyafuso, F.1    Klimeck, G.2    Bowen, R.C.3    Boykin, T.B.4    von Allmen, P.5
  • 30
    • 0000067185 scopus 로고
    • Electromagnetic fields and dielectric response in empirical tight-binding theory
    • Feb
    • M. Graf and P. Vogl, "Electromagnetic fields and dielectric response in empirical tight-binding theory," Phys. Rev. B, Condens. Matter, vol. 51, no. 8, pp. 4940-4949, Feb. 1995.
    • (1995) Phys. Rev. B, Condens. Matter , vol.51 , Issue.8 , pp. 4940-4949
    • Graf, M.1    Vogl, P.2
  • 31
    • 29144453140 scopus 로고
    • Effect of invariance requirements on the elastic strain energy of crystals with application to the diamond structure
    • May
    • P. Keating, "Effect of invariance requirements on the elastic strain energy of crystals with application to the diamond structure," Phys. Rev., vol. 145, no. 2, pp. 637-644, May 1966.
    • (1966) Phys. Rev , vol.145 , Issue.2 , pp. 637-644
    • Keating, P.1
  • 32
    • 2442522754 scopus 로고
    • Simplified LCAO method for the periodic potential problem
    • J. C. Slater and G. F. Koster, "Simplified LCAO method for the periodic potential problem," Phys. Rev., vol. 94, no. 6, pp. 1498-1524, 1954.
    • (1954) Phys. Rev , vol.94 , Issue.6 , pp. 1498-1524
    • Slater, J.C.1    Koster, G.F.2
  • 33
    • 0001059737 scopus 로고    scopus 로고
    • Empirical spds, tight-binding calculation for cubic semiconductors: General method and material parameters
    • Mar
    • J. M. Jancu, R. Scholz, F. Beltram, and F. Bassani, "Empirical spds, tight-binding calculation for cubic semiconductors: General method and material parameters," Phys. Rev. B, Condens. Matter, vol. 57, no. 11, pp. 6493-6507, Mar. 1998.
    • (1998) Phys. Rev. B, Condens. Matter , vol.57 , Issue.11 , pp. 6493-6507
    • Jancu, J.M.1    Scholz, R.2    Beltram, F.3    Bassani, F.4
  • 34
    • 0037080620 scopus 로고    scopus 로고
    • Dielectric response of molecules in empirical tight-binding theory
    • Jan
    • T. B. Boykin and P. Vogl, "Dielectric response of molecules in empirical tight-binding theory," Phys. Rev. B, Condens. Matter, vol. 65, no. 3, p. 035 202, Jan. 2001.
    • (2001) Phys. Rev. B, Condens. Matter , vol.65 , Issue.3 , pp. 035-202
    • Boykin, T.B.1    Vogl, P.2
  • 35
    • 20044388203 scopus 로고    scopus 로고
    • Practical application of zone-folding concepts in tight-binding
    • Mar
    • T. B. Boykin and G. Klimeck, "Practical application of zone-folding concepts in tight-binding," Phys. Rev. B, Condens. Matter, vol. 71, no. 11, p. 115 215, Mar. 2005.
    • (2005) Phys. Rev. B, Condens. Matter , vol.71 , Issue.11 , pp. 115-215
    • Boykin, T.B.1    Klimeck, G.2
  • 36
    • 33947606103 scopus 로고    scopus 로고
    • Approximate bandstructures of semiconductor alloys from tight-binding supercell calculations
    • Jan
    • T. B. Boykin, N. Kharche, G. Klimeck, and M. Korkusinski, "Approximate bandstructures of semiconductor alloys from tight-binding supercell calculations," J. Phys: Condensed Matter, vol. 19, no. 3, p. 036203, Jan. 2007.
    • (2007) J. Phys: Condensed Matter , vol.19 , Issue.3 , pp. 036203
    • Boykin, T.B.1    Kharche, N.2    Klimeck, G.3    Korkusinski, M.4
  • 37
    • 33846586386 scopus 로고    scopus 로고
    • The electronic structure and transmission characteristics of disordered AlGaAs nanowires
    • Jan
    • T. B. Boykin, M. Luisier, A. Schenk, N. Kharche, and G. Klimeck, "The electronic structure and transmission characteristics of disordered AlGaAs nanowires," IEEE Trans. Nanotechnol., vol. 6, no. 1, pp. 43-47, Jan. 2007.
    • (2007) IEEE Trans. Nanotechnol , vol.6 , Issue.1 , pp. 43-47
    • Boykin, T.B.1    Luisier, M.2    Schenk, A.3    Kharche, N.4    Klimeck, G.5
  • 39
    • 0000094594 scopus 로고
    • An iteration method for the solution of the eigenvalue problem of linear differential and integral operators
    • C. Lanczos, "An iteration method for the solution of the eigenvalue problem of linear differential and integral operators," J. Res. Natl. Bur. Stand., vol. 45, no. 4, pp. 255-282, 1950.
    • (1950) J. Res. Natl. Bur. Stand , vol.45 , Issue.4 , pp. 255-282
    • Lanczos, C.1
  • 40
    • 0001604458 scopus 로고
    • Solving Schrödinger's equation around a desired energy: Application to silicon quantum dots
    • Feb
    • L. W. Wang and A. Zunger, "Solving Schrödinger's equation around a desired energy: Application to silicon quantum dots," J. Chem. Phys. vol. 100, no. 3, pp. 2394-2397, Feb. 1994.
    • (1994) J. Chem. Phys , vol.100 , Issue.3 , pp. 2394-2397
    • Wang, L.W.1    Zunger, A.2
  • 41
    • 0034319898 scopus 로고    scopus 로고
    • The trace minimization method for the symmetric generalized eigenvalue problem
    • Nov
    • A. Sameh and Z. Tong, "The trace minimization method for the symmetric generalized eigenvalue problem," J. Comput. Appl. Math, vol. 123, no. 1, pp. 155-175, Nov. 2000.
    • (2000) J. Comput. Appl. Math , vol.123 , Issue.1 , pp. 155-175
    • Sameh, A.1    Tong, Z.2
  • 42
    • 0030560293 scopus 로고    scopus 로고
    • A Jacobi-Davidson iteration method for linear eigenvalue problems
    • G. L. G. Sleqppen and H. A. Van der Vorst, "A Jacobi-Davidson iteration method for linear eigenvalue problems," SIAM J. Matrix Anal. Appl. vol. 17, no. 2, pp. 401-425, 1996.
    • (1996) SIAM J. Matrix Anal. Appl , vol.17 , Issue.2 , pp. 401-425
    • Sleqppen, G.L.G.1    Van der Vorst, H.A.2
  • 44
    • 33845610455 scopus 로고    scopus 로고
    • Hub-based simulation and graphics hardware accelerated visualization for nanotechnology applications
    • Sep./Oct
    • W. Qiao, M. Mclennan, R. Kennell, D. Ebert, and G. Klimeck, "Hub-based simulation and graphics hardware accelerated visualization for nanotechnology applications," IEEE Trans. Vis. Comput. Graphics, vol. 12, no. 5, pp. 1061-1068, Sep./Oct. 2006.
    • (2006) IEEE Trans. Vis. Comput. Graphics , vol.12 , Issue.5 , pp. 1061-1068
    • Qiao, W.1    Mclennan, M.2    Kennell, R.3    Ebert, D.4    Klimeck, G.5
  • 45
    • 41749083161 scopus 로고    scopus 로고
    • Available
    • [Online]. Available: https://www.nanohub.org/simulation_tools/ qdot_tool_information
  • 46
    • 41749104099 scopus 로고    scopus 로고
    • TeraGrid, Online, Available
    • TeraGrid. [Online]. Available: http://www.teragrid.org
  • 47
    • 84871081903 scopus 로고    scopus 로고
    • Online, Available
    • Open Science Grid. [Online]. Available: http:// www.opensciencegrid.org
    • Open Science Grid


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.