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Volumn 54, Issue 3, 2005, Pages 293-298

Theoretical electron energy-loss spectroscopy and its application in materials research

Author keywords

Ab initio calculation; Core hole effect; EELS; Nitride

Indexed keywords

DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRON ENERGY LEVELS; ELECTRON SCATTERING; ENERGY DISSIPATION; GROUP THEORY; NITRIDES;

EID: 27744502317     PISSN: 00220744     EISSN: 14779986     Source Type: Journal    
DOI: 10.1093/jmicro/dfi041     Document Type: Article
Times cited : (7)

References (28)
  • 2
    • 0040331341 scopus 로고    scopus 로고
    • Ab initio calculation of near-edge structures in electron-energy-loss spectra for metal-oxide crystals
    • Kostlmeier S and Elsasser C (1999) Ab initio calculation of near-edge structures in electron-energy-loss spectra for metal-oxide crystals. Phys. Rev. B 60: 14025-14034.
    • (1999) Phys. Rev. B , vol.60 , pp. 14025-14034
    • Kostlmeier, S.1    Elsasser, C.2
  • 4
    • 0000701325 scopus 로고    scopus 로고
    • Ab initio EELS: Beyond the fingerprint
    • Pickard C J and Payne M C (1997) Ab initio EELS: beyond the fingerprint. Inst. Phys. Conf. Ser. 153: 179-182.
    • (1997) Inst. Phys. Conf. Ser. , vol.153 , pp. 179-182
    • Pickard, C.J.1    Payne, M.C.2
  • 5
    • 0035884522 scopus 로고    scopus 로고
    • Cubic boron nitride: Experimental and theoretical energy-loss near-edge structure
    • Jayawardane D N, Pickard C J, Brown L M, and Payne M C (2001) Cubic boron nitride: experimental and theoretical energy-loss near-edge structure. Phys. Rev. B 64: 115107.
    • (2001) Phys. Rev. B , vol.64 , pp. 115107
    • Jayawardane, D.N.1    Pickard, C.J.2    Brown, L.M.3    Payne, M.C.4
  • 6
    • 0034664602 scopus 로고    scopus 로고
    • Ab initio calculation of the core-hole effect in the electron energy-loss near-edge structure
    • Mo S D and Ching W Y (2000) Ab initio calculation of the core-hole effect in the electron energy-loss near-edge structure. Phys. Rev. B 62: 7901-7907.
    • (2000) Phys. Rev. B , vol.62 , pp. 7901-7907
    • Mo, S.D.1    Ching, W.Y.2
  • 8
    • 42749105470 scopus 로고    scopus 로고
    • First-principles calculations of ELNES and XANES of selected wide-gap materials: Dependence on crystal structure and orientation
    • Mizoguchi T, Tanaka I, Yoshioka S, Kunisu M, Yamamoto T, and Ching W Y (2004) First-principles calculations of ELNES and XANES of selected wide-gap materials: dependence on crystal structure and orientation. Phys. Rev. B 70: 045103.
    • (2004) Phys. Rev. B , vol.70 , pp. 045103
    • Mizoguchi, T.1    Tanaka, I.2    Yoshioka, S.3    Kunisu, M.4    Yamamoto, T.5    Ching, W.Y.6
  • 9
    • 0037113703 scopus 로고    scopus 로고
    • X-ray absorption near-edge structure calculations with the pseudo-potentials: Application to the K edge in diamond and alpha-quartz
    • Taillefumier M, Cabaret D, Flank A M, and Mauri F (2002) X-ray absorption near-edge structure calculations with the pseudo-potentials: application to the K edge in diamond and alpha-quartz. Phys. Rev. B 66: 195107.
    • (2002) Phys. Rev. B , vol.66 , pp. 195107
    • Taillefumier, M.1    Cabaret, D.2    Flank, A.M.3    Mauri, F.4
  • 10
    • 0035109720 scopus 로고    scopus 로고
    • Density-functional modeling of core-hole effects in electron energy-loss near-edge spectra
    • Elsasser C and Kostlmeier S (2001) Density-functional modeling of core-hole effects in electron energy-loss near-edge spectra. Ultramicroscopy 86: 325-337.
    • (2001) Ultramicroscopy , vol.86 , pp. 325-337
    • Elsasser, C.1    Kostlmeier, S.2
  • 11
    • 11944256577 scopus 로고
    • Iterative minimization techniques for ab initio total-energy calculations: Molecular dynamics and conjugate gradients
    • Payne M C, Teter M P, Allan D C, Arias T A, and Joannopoulos D (1992) Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients. Rev. Mod. Phys. 64: 1045-1097.
    • (1992) Rev. Mod. Phys. , vol.64 , pp. 1045-1097
    • Payne, M.C.1    Teter, M.P.2    Allan, D.C.3    Arias, T.A.4    Joannopoulos, D.5
  • 12
    • 4644265529 scopus 로고    scopus 로고
    • Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
    • Hammer B, Hansen L B, and Nørskov J K (1998) Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals. Phys. Rev. B 59: 7413-7421.
    • (1998) Phys. Rev. B , vol.59 , pp. 7413-7421
    • Hammer, B.1    Hansen, L.B.2    Nørskov, J.K.3
  • 13
    • 34247648401 scopus 로고
    • Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials
    • Laasonen K, Pasquarello A, Car R, Lee C, and Vanderbilt D (1993) Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials. Phys. Rev. B 47: 10142-10153.
    • (1993) Phys. Rev. B , vol.47 , pp. 10142-10153
    • Laasonen, K.1    Pasquarello, A.2    Car, R.3    Lee, C.4    Vanderbilt, D.5
  • 14
    • 23244460838 scopus 로고
    • Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
    • Perdew J P, Chevary J A, Vosko S H, Jackson K A, Pederson M R, Singh D J, and Fiolhais C (1992) Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 46: 6671-6687.
    • (1992) Phys. Rev. B , vol.46 , pp. 6671-6687
    • Perdew, J.P.1    Chevary, J.A.2    Vosko, S.H.3    Jackson, K.A.4    Pederson, M.R.5    Singh, D.J.6    Fiolhais, C.7
  • 15
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • Monkhorst H J and Pack J D (1976) Special points for Brillouin-zone integrations. Phys. Rev. B 13: 5188-5192.
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 16
    • 0001545012 scopus 로고
    • Electronic excitation energies and the soft-x-ray absorption spectra of alkali halides
    • Pantelides S T (1975) Electronic excitation energies and the soft-x-ray absorption spectra of alkali halides. Phys. Rev. B 11: 2391-2411.
    • (1975) Phys. Rev. B , vol.11 , pp. 2391-2411
    • Pantelides, S.T.1
  • 18
    • 0037105129 scopus 로고    scopus 로고
    • Electronic structure of GaN and InxGal-xN measured with electron energy-loss spectroscopy
    • Keast V J, Scott A J, Kappers M J, Faxon C T, and Humphreys C J (2002) Electronic structure of GaN and InxGal-xN measured with electron energy-loss spectroscopy. Phys. Rev. B 66: 125319.
    • (2002) Phys. Rev. B , vol.66 , pp. 125319
    • Keast, V.J.1    Scott, A.J.2    Kappers, M.J.3    Faxon, C.T.4    Humphreys, C.J.5
  • 19
    • 0038502004 scopus 로고    scopus 로고
    • Materials science applications of HREELS in near edge structure analysis and low-energy loss spectroscopy
    • Lazar S, Botton G A, Wu M Y, Tichelaar F D, and Zandbergen H W (2003) Materials science applications of HREELS in near edge structure analysis and low-energy loss spectroscopy. Ultramicroscopy 96: 535-546.
    • (2003) Ultramicroscopy , vol.96 , pp. 535-546
    • Lazar, S.1    Botton, G.A.2    Wu, M.Y.3    Tichelaar, F.D.4    Zandbergen, H.W.5
  • 20
    • 0034065620 scopus 로고    scopus 로고
    • Investigation of atomic structures of diamond-like amorphous carbon by electron energy loss spectroscopy
    • Yuan J and Brown L M (2000) Investigation of atomic structures of diamond-like amorphous carbon by electron energy loss spectroscopy. Micron 31: 515-525.
    • (2000) Micron , vol.31 , pp. 515-525
    • Yuan, J.1    Brown, L.M.2
  • 21
    • 0042829371 scopus 로고    scopus 로고
    • Cluster model calculation of N near K-edge energy-loss fine structures in hexagonal GaN crystal
    • Gao S P, Zhang W H, Li J M, and Zhu J (2002) Cluster model calculation of N near K-edge energy-loss fine structures in hexagonal GaN crystal. Sci. China Ser. A 44: 1602-1607.
    • (2002) Sci. China Ser. A , vol.44 , pp. 1602-1607
    • Gao, S.P.1    Zhang, W.H.2    Li, J.M.3    Zhu, J.4
  • 22
    • 10344259607 scopus 로고    scopus 로고
    • Identification of polymorphs of sp3 bonded carbon and boron nitride using core-level absorption spectroscopy
    • Gao S P, Zhu J, and Yuan J (2004) Identification of polymorphs of sp3 bonded carbon and boron nitride using core-level absorption spectroscopy. Chem. Phys. Lett. 400: 413-418.
    • (2004) Chem. Phys. Lett. , vol.400 , pp. 413-418
    • Gao, S.P.1    Zhu, J.2    Yuan, J.3
  • 23
    • 0001855284 scopus 로고
    • Phase identification in carbon and BN systems by EELS
    • Schmid H K (1995) Phase identification in carbon and BN systems by EELS. Microsc. Microanal. Microstruct. 6: 99-111.
    • (1995) Microsc. Microanal. Microstruct. , vol.6 , pp. 99-111
    • Schmid, H.K.1
  • 24
    • 27744473574 scopus 로고
    • Real-space determination of anisotropic electronic structure by electron energy loss spectroscopy
    • Browning N D, Yuan J, and Brown L M (1991) Real-space determination of anisotropic electronic structure by electron energy loss spectroscopy. Utramicroscopy 74: 83-94.
    • (1991) Utramicroscopy , vol.74 , pp. 83-94
    • Browning, N.D.1    Yuan, J.2    Brown, L.M.3
  • 25
    • 2342450619 scopus 로고    scopus 로고
    • Anisotropic spectroscopy of nitrogen K-edge in group-III nitrides
    • Gao S P, Zhang A H, Zhu J, and Yuan J (2004) Anisotropic spectroscopy of nitrogen K-edge in group-III nitrides. Appl. Phys. Lett. 84: 2784-2786.
    • (2004) Appl. Phys. Lett. , vol.84 , pp. 2784-2786
    • Gao, S.P.1    Zhang, A.H.2    Zhu, J.3    Yuan, J.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.