-
2
-
-
0040331341
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
17
-
-
0037416651
-
Measuring electronic structure of wurtzite InN using electron energy loss spectroscopy
-
Mkhoyan K A, Silcox J, Alldredge E S, Ashcroft N W, Lu H, Schaff W J, and Eastman L F (2003) Measuring electronic structure of wurtzite InN using electron energy loss spectroscopy. Appl. Phys. Lett. 82: 1407-1409.
-
(2003)
Appl. Phys. Lett.
, vol.82
, pp. 1407-1409
-
-
Mkhoyan, K.A.1
Silcox, J.2
Alldredge, E.S.3
Ashcroft, N.W.4
Lu, H.5
Schaff, W.J.6
Eastman, L.F.7
-
18
-
-
0037105129
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
26
-
-
0000773318
-
Anisotropy of the nitrogen conduction states in the group III nitrides studied by polarized x-ray absorption
-
Lawniczak-Jablonska K, Suski T, Liliental-Weber Z, Gullikson E M, Underwood J H, Perera R C C, and Drummond T J (1997) Anisotropy of the nitrogen conduction states in the group III nitrides studied by polarized x-ray absorption. Appl. Phys. Lett. 70: 2711-2713.
-
(1997)
Appl. Phys. Lett.
, vol.70
, pp. 2711-2713
-
-
Lawniczak-Jablonska, K.1
Suski, T.2
Liliental-Weber, Z.3
Gullikson, E.M.4
Underwood, J.H.5
Perera, R.C.C.6
Drummond, T.J.7
-
27
-
-
0001524191
-
2,3-edge spectra in GaN
-
2,3-edge spectra in GaN. Phys. Rev. B 55: 2612-2622.
-
(1997)
Phys. Rev. B
, vol.55
, pp. 2612-2622
-
-
Lambrecht, W.R.L.1
Rashkeev, S.N.2
Segall, B.3
Lawniczak-Jablonska, K.4
Suski, T.5
Gullikson, E.M.6
Unerwood, J.H.7
Perera, R.C.C.8
Rife, J.C.9
Grzegory, I.10
Porowski11
Wickenden, D.K.12
-
28
-
-
0001712269
-
Density of states, hybridization, and band-gap evolution in AlxGal-xN alloys
-
Duda L-C, Stagarescu C B, Downes J, Smith K E, Korakakis D, Moustakas T D, Guo J, and Nordgren J (1998) Density of states, hybridization, and band-gap evolution in AlxGal-xN alloys. Phys. Rev. B 58: 1928-1933.
-
(1998)
Phys. Rev. B
, vol.58
, pp. 1928-1933
-
-
Duda, L.-C.1
Stagarescu, C.B.2
Downes, J.3
Smith, K.E.4
Korakakis, D.5
Moustakas, T.D.6
Guo, J.7
Nordgren, J.8
|