-
1
-
-
0032537054
-
Identification of cathode materials for lithium batteries guided by first-principles calculations
-
G. Ceder, Y. M. Chiang, D. R. Sadoway, M. K. Aydinol, Y. I. Jang, and B. Huang, Identification of cathode materials for lithium batteries guided by first-principles calculations, Nature 392, 694 (1998). 10.1038/33647
-
(1998)
Nature
, vol.392
, pp. 694
-
-
Ceder, G.1
Chiang, Y.M.2
Sadoway, D.R.3
Aydinol, M.K.4
Jang, Y.I.5
Huang, B.6
-
2
-
-
0001325964
-
Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides
-
M. K. Aydinol, A. F. Kohan, G. Ceder, K. Cho, and J. Joannopoulos, Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides, Phys. Rev. B 56, 1354 (1997). 10.1103/PhysRevB.56.1354
-
(1997)
Phys. Rev. B
, vol.56
, pp. 1354
-
-
Aydinol, M.K.1
Kohan, A.F.2
Ceder, G.3
Cho, K.4
Joannopoulos, J.5
-
3
-
-
0031246429
-
Ab initio calculation of the intercalation voltage of lithium-transition-metal oxide electrodes for rechargeable batteries
-
M. K. Aydinol, A. F. Kohan, and G. Ceder, Ab initio calculation of the intercalation voltage of lithium-transition-metal oxide electrodes for rechargeable batteries, J. Power Sources 68, 664 (1997). 10.1016/S0378-7753(96)02638-9
-
(1997)
J. Power Sources
, vol.68
, pp. 664
-
-
Aydinol, M.K.1
Kohan, A.F.2
Ceder, G.3
-
4
-
-
84883202426
-
Reversible anionic redox chemistry in high-capacity layered-oxide electrodes
-
M. Sathiya, G. Rousse, K. Ramesha, C. P. Laisa, H. Vezin, M. T. Sougrati, M. L. Doublet, D. Foix, D. Gonbeau, W. Walker, A. S. Prakash, M. Ben Hassine, L. Dupont, and J. M. Tarascon, Reversible anionic redox chemistry in high-capacity layered-oxide electrodes, Nat. Mater. 12, 827 (2013). 10.1038/nmat3699
-
(2013)
Nat. Mater.
, vol.12
, pp. 827
-
-
Sathiya, M.1
Rousse, G.2
Ramesha, K.3
Laisa, C.P.4
Vezin, H.5
Sougrati, M.T.6
Doublet, M.L.7
Foix, D.8
Gonbeau, D.9
Walker, W.10
Prakash, A.S.11
Ben Hassine, M.12
Dupont, L.13
Tarascon, J.M.14
-
5
-
-
84865713199
-
Oxygen and transition metal involvement in the charge compensation mechanism of (Equation presented) cathodes
-
C. F. Petersburg, Z. Li, N. A. Chernova, M. S. Whittingham, and F. M. Alamgir, Oxygen and transition metal involvement in the charge compensation mechanism of (Equation presented) cathodes, J. Mater. Chem. 22, 19993 (2012). 10.1039/c2jm33392a
-
(2012)
J. Mater. Chem.
, vol.22
, pp. 19993
-
-
Petersburg, C.F.1
Li, Z.2
Chernova, N.A.3
Whittingham, M.S.4
Alamgir, F.M.5
-
6
-
-
79959577135
-
Design principles for oxygen-reduction activity on perovskite oxide catalysts for fuel cells and metal-air batteries
-
J. Suntivich, H. A. Gasteiger, N. Yabuuchi, H. Nakanishi, J. B. Goodenough, and Y. Shao-Horn, Design principles for oxygen-reduction activity on perovskite oxide catalysts for fuel cells and metal-air batteries, Nature Chem. 3, 546 (2011). 10.1038/nchem.1069
-
(2011)
Nature Chem.
, vol.3
, pp. 546
-
-
Suntivich, J.1
Gasteiger, H.A.2
Yabuuchi, N.3
Nakanishi, H.4
Goodenough, J.B.5
Shao-Horn, Y.6
-
7
-
-
83255187152
-
A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles
-
J. Suntivich, K. J. May, H. A. Gasteiger, J. B. Goodenough, and Y. Shao-Horn, A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles, Science 334, 1383 (2011). 10.1126/science.1212858
-
(2011)
Science
, vol.334
, pp. 1383
-
-
Suntivich, J.1
May, K.J.2
Gasteiger, H.A.3
Goodenough, J.B.4
Shao-Horn, Y.5
-
8
-
-
0001032753
-
Variation of optical gaps in perovskite-type 3d transition-metal oxides
-
T. Arima, Y. Tokura, and J. B. Torrance, Variation of optical gaps in perovskite-type 3d transition-metal oxides, Phys. Rev. B 48, 17006 (1993). 10.1103/PhysRevB.48.17006
-
(1993)
Phys. Rev. B
, vol.48
, pp. 17006
-
-
Arima, T.1
Tokura, Y.2
Torrance, J.B.3
-
9
-
-
1542273532
-
The origin of ferroelectricity in magnetoelectric (Equation presented)
-
B. B. Van Aken, T. T. M. Palstra, A. Filippetti, and N. A. Spaldin, The origin of ferroelectricity in magnetoelectric (Equation presented), Nat. Mater. 3, 164 (2004). 10.1038/nmat1080
-
(2004)
Nat. Mater.
, vol.3
, pp. 164
-
-
Van Aken, B.B.1
Palstra, T.T.M.2
Filippetti, A.3
Spaldin, N.A.4
-
10
-
-
33846006567
-
Multiferroics: A magnetic twist for ferroelectricity
-
S.-W. Cheong and M. Mostovoy, Multiferroics: A magnetic twist for ferroelectricity, Nat. Mater. 6, 13 (2007). 10.1038/nmat1804
-
(2007)
Nat. Mater.
, vol.6
, pp. 13
-
-
Cheong, S.-W.1
Mostovoy, M.2
-
11
-
-
41449096395
-
Iron-based layered superconductor (Equation presented) with (Equation presented)
-
Y. Kamihara, T. Watanabe, M. Hirano, and H. Hosono, Iron-based layered superconductor (Equation presented) with (Equation presented), J. Am. Chem. Soc. 130, 3296 (2008). 10.1021/ja800073m
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 3296
-
-
Kamihara, Y.1
Watanabe, T.2
Hirano, M.3
Hosono, H.4
-
12
-
-
4243761984
-
Band Gaps and Electronic Structure of Transition-Metal Compounds
-
J. Zaanen, G. A. Sawatzky, and J. W. Allen, Band Gaps and Electronic Structure of Transition-Metal Compounds, Phys. Rev. Lett. 55, 418 (1985). 10.1103/PhysRevLett.55.418
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 418
-
-
Zaanen, J.1
Sawatzky, G.A.2
Allen, J.W.3
-
13
-
-
0000857055
-
Metal-insulator transitions
-
M. Imada, A. Fujimori, and Y. Tokura, Metal-insulator transitions, Rev. Mod. Phys. 70, 1039 (1998). 10.1103/RevModPhys.70.1039
-
(1998)
Rev. Mod. Phys.
, vol.70
, pp. 1039
-
-
Imada, M.1
Fujimori, A.2
Tokura, Y.3
-
14
-
-
24544446066
-
Electronic structure of MnO
-
J. van Elp, R. H. Potze, H. Eskes, R. Berger, and G. A. Sawatzky, Electronic structure of MnO, Phys. Rev. B 44, 1530 (1991). 10.1103/PhysRevB.44.1530
-
(1991)
Phys. Rev. B
, vol.44
, pp. 1530
-
-
Van Elp, J.1
Potze, R.H.2
Eskes, H.3
Berger, R.4
Sawatzky, G.A.5
-
15
-
-
0001760757
-
Electronic structure of CoO, Li-doped CoO, and (Equation presented)
-
J. van Elp, J. L. Wieland, H. Eskes, P. Kuiper, G. A. Sawatzky, F. M. F. de Groot, and T. S. Turner, Electronic structure of CoO, Li-doped CoO, and (Equation presented), Phys. Rev. B 44, 6090 (1991). 10.1103/PhysRevB.44.6090
-
(1991)
Phys. Rev. B
, vol.44
, pp. 6090
-
-
Van Elp, J.1
Wieland, J.L.2
Eskes, H.3
Kuiper, P.4
Sawatzky, G.A.5
De Groot, F.M.F.6
Turner, T.S.7
-
16
-
-
79958022699
-
In situ X-ray absorption spectroscopic study of Li-rich layered cathode material (Equation presented)
-
A. Ito, Y. Sato, T. Sanada, M. Hatano, H. Horie, and Y. Ohsawa, In situ X-ray absorption spectroscopic study of Li-rich layered cathode material (Equation presented), J. Power Sources 196, 6828 (2011). 10.1016/j.jpowsour.2010.09.105
-
(2011)
J. Power Sources
, vol.196
, pp. 6828
-
-
Ito, A.1
Sato, Y.2
Sanada, T.3
Hatano, M.4
Horie, H.5
Ohsawa, Y.6
-
17
-
-
84875479161
-
Different oxygen redox participation for bulk and surface: A possible global explanation for the cycling mechanism of (Equation presented)
-
H. Koga, L. Croguennec, M. Ménétrier, P. Mannessiez, F. Weill, and C. Delmas, Different oxygen redox participation for bulk and surface: A possible global explanation for the cycling mechanism of (Equation presented), J. Power Sources 236, 250 (2013). 10.1016/j.jpowsour.2013.02.075
-
(2013)
J. Power Sources
, vol.236
, pp. 250
-
-
Koga, H.1
Croguennec, L.2
Ménétrier, M.3
Mannessiez, P.4
Weill, F.5
Delmas, C.6
-
18
-
-
84876007861
-
High performance (Equation presented) cathode materials for rechargeable lithium-ion batteries: Their understanding
-
M. Sathiya, K. Ramesha, G. Rousse, D. Foix, D. Gonbeau, A. S. Prakash, M. L. Doublet, K. Hemalatha, and J. M. Tarascon, High performance (Equation presented) cathode materials for rechargeable lithium-ion batteries: Their understanding, Chem. Mater. 25, 1121 (2013). 10.1021/cm400193m
-
(2013)
Chem. Mater.
, vol.25
, pp. 1121
-
-
Sathiya, M.1
Ramesha, K.2
Rousse, G.3
Foix, D.4
Gonbeau, D.5
Prakash, A.S.6
Doublet, M.L.7
Hemalatha, K.8
Tarascon, J.M.9
-
19
-
-
84925491976
-
Origin of voltage decay in high-capacity layered oxide electrodes
-
M. Sathiya, A. M. Abakumov, D. Foix, G. Rousse, K. Ramesha, M. Saubanère, M. L. Doublet, H. Vezin, C. P. Laisa, A. S. Prakash, D. Gonbeau, G. VanTendeloo, and J. M. Tarascon, Origin of voltage decay in high-capacity layered oxide electrodes, Nat. Mater. 14, 230 (2014). 10.1038/nmat4137
-
(2014)
Nat. Mater.
, vol.14
, pp. 230
-
-
Sathiya, M.1
Abakumov, A.M.2
Foix, D.3
Rousse, G.4
Ramesha, K.5
Saubanère, M.6
Doublet, M.L.7
Vezin, H.8
Laisa, C.P.9
Prakash, A.S.10
Gonbeau, D.11
VanTendeloo, G.12
Tarascon, J.M.13
-
20
-
-
84904490727
-
A new sealed lithium-peroxide battery with a Co-doped (Equation presented) cathode in a superconcentrated lithium bis(fluorosulfonyl)amide electrolyte
-
S.-I. Okuoka, Y. Ogasawara, Y. Suga, M. Hibino, T. Kudo, H. Ono, K. Yonehara, Y. Sumida, Y. Yamada, A. Yamada, M. Oshima, E. Tochigi, N. Shibata, Y. Ikuhara, and N. Mizuno, A new sealed lithium-peroxide battery with a Co-doped (Equation presented) cathode in a superconcentrated lithium bis(fluorosulfonyl)amide electrolyte, Sci. Rep. 4, 5684 (2014). 10.1038/srep05684
-
(2014)
Sci. Rep.
, vol.4
, pp. 5684
-
-
Okuoka, S.-I.1
Ogasawara, Y.2
Suga, Y.3
Hibino, M.4
Kudo, T.5
Ono, H.6
Yonehara, K.7
Sumida, Y.8
Yamada, Y.9
Yamada, A.10
Oshima, M.11
Tochigi, E.12
Shibata, N.13
Ikuhara, Y.14
Mizuno, N.15
-
21
-
-
84920983051
-
Designing new lithium-excess cathode materials from percolation theory: Nanohighways in (Equation presented)
-
N. Twu, X. Li, A. Urban, M. Balasubramanian, J. Lee, L. Liu, and G. Ceder, Designing new lithium-excess cathode materials from percolation theory: Nanohighways in (Equation presented), Nano Lett. 15, 596 (2015). 10.1021/nl5040754
-
(2015)
Nano Lett.
, vol.15
, pp. 596
-
-
Twu, N.1
Li, X.2
Urban, A.3
Balasubramanian, M.4
Lee, J.5
Liu, L.6
Ceder, G.7
-
22
-
-
84935024208
-
High-capacity electrode materials for rechargeable lithium batteries: (Equation presented)-based system with cation-disordered rocksalt structure
-
N. Yabuuchi, M. Takeuchi, M. Nakayama, H. Shiiba, M. Ogawa, K. Nakayama, T. Ohta, D. Endo, T. Ozaki, T. Inamasu, K. Sato, and S. Komaba, High-capacity electrode materials for rechargeable lithium batteries: (Equation presented)-based system with cation-disordered rocksalt structure, Proc. Natl. Acad. Sci. USA 112, 7650 (2015). 10.1073/pnas.1504901112
-
(2015)
Proc. Natl. Acad. Sci. USA
, vol.112
, pp. 7650
-
-
Yabuuchi, N.1
Takeuchi, M.2
Nakayama, M.3
Shiiba, H.4
Ogawa, M.5
Nakayama, K.6
Ohta, T.7
Endo, D.8
Ozaki, T.9
Inamasu, T.10
Sato, K.11
Komaba, S.12
-
23
-
-
84940568829
-
A disordered rock-salt Li-excess cathode material with high capacity and substantial oxygen redox activity: (Equation presented)
-
R. Wang, X. Li, L. Liu, J. Lee, D.-H. Seo, S.-H. Bo, A. Urban, and G. Ceder, A disordered rock-salt Li-excess cathode material with high capacity and substantial oxygen redox activity: (Equation presented), Electrochem. Commun. 60, 73 (2015). 10.1016/j.elecom.2015.08.003
-
(2015)
Electrochem. Commun.
, vol.60
, pp. 73
-
-
Wang, R.1
Li, X.2
Liu, L.3
Lee, J.4
Seo, D.-H.5
Bo, S.-H.6
Urban, A.7
Ceder, G.8
-
24
-
-
0021372375
-
Electrochemical extraction of lithium from (Equation presented)
-
M. M. Thackeray, P. J. Johnson, L. A. de Picciotto, P. G. Bruce, and J. B. Goodenough, Electrochemical extraction of lithium from (Equation presented), Mater. Res. Bull. 19, 179 (1984). 10.1016/0025-5408(84)90088-6
-
(1984)
Mater. Res. Bull.
, vol.19
, pp. 179
-
-
Thackeray, M.M.1
Johnson, P.J.2
De Picciotto, L.A.3
Bruce, P.G.4
Goodenough, J.B.5
-
25
-
-
0031124233
-
Phospho-olivines as positive-electrode materials for rechargeable lithium batteries
-
A. K. Padhi, K. S. Nanjundaswamy, and J. B. Goodenough, Phospho-olivines as positive-electrode materials for rechargeable lithium batteries, J. Electrochem. Soc. 144, 1188 (1997). 10.1149/1.1837571
-
(1997)
J. Electrochem. Soc.
, vol.144
, pp. 1188
-
-
Padhi, A.K.1
Nanjundaswamy, K.S.2
Goodenough, J.B.3
-
26
-
-
0000532017
-
First-principles investigation of phase stability in (Equation presented)
-
A. Van der Ven, M. K. Aydinol, G. Ceder, G. Kresse, and J. Hafner, First-principles investigation of phase stability in (Equation presented), Phys. Rev. B 58, 2975 (1998). 10.1103/PhysRevB.58.2975
-
(1998)
Phys. Rev. B
, vol.58
, pp. 2975
-
-
Van Der Ven, A.1
Aydinol, M.K.2
Ceder, G.3
Kresse, G.4
Hafner, J.5
-
27
-
-
0037076148
-
Oxygen contribution on Li-ion intercalation-deintercalation in (Equation presented) investigated by O K-Edge and Co L-Edge X-ray absorption spectroscopy
-
W.-S. Yoon, K.-B. Kim, M.-G. Kim, M.-K. Lee, H.-J. Shin, J.-M. Lee, and J.-S. Lee, Oxygen contribution on Li-ion intercalation-deintercalation in (Equation presented) investigated by O K-Edge and Co L-Edge X-ray absorption spectroscopy, J. Phys. Chem. B 106, 2526 (2002). 10.1021/jp013735e
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 2526
-
-
Yoon, W.-S.1
Kim, K.-B.2
Kim, M.-G.3
Lee, M.-K.4
Shin, H.-J.5
Lee, J.-M.6
Lee, J.-S.7
-
28
-
-
0037075390
-
Electronic structure of chemically-delithiated (Equation presented) studied by electron energy-loss spectrometry
-
J. Graetz, A. Hightower, C. C. Ahn, R. Yazami, P. Rez, and B. Fultz, Electronic structure of chemically-delithiated (Equation presented) studied by electron energy-loss spectrometry, J. Phys. Chem. B 106, 1286 (2002). 10.1021/jp0133283
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 1286
-
-
Graetz, J.1
Hightower, A.2
Ahn, C.C.3
Yazami, R.4
Rez, P.5
Fultz, B.6
-
29
-
-
0042113153
-
Self-consistent equations including exchange and correlation effects
-
W. Kohn and L. J. Sham, Self-consistent equations including exchange and correlation effects, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
-
(1965)
Phys. Rev.
, vol.140
, pp. A1133
-
-
Kohn, W.1
Sham, L.J.2
-
30
-
-
0001437693
-
Band theory and Mott insulators: Hubbard U instead of Stoner i
-
V. I. Anisimov, J. Zaanen, and O. K. Andersen, Band theory and Mott insulators: Hubbard U instead of Stoner I, Phys. Rev. B 44, 943 (1991). 10.1103/PhysRevB.44.943
-
(1991)
Phys. Rev. B
, vol.44
, pp. 943
-
-
Anisimov, V.I.1
Zaanen, J.2
Andersen, O.K.3
-
31
-
-
35949006498
-
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
-
A. I. Liechtenstein, V. I. Anisimov, and J. Zaanen, Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators, Phys. Rev. B 52, R5467 (1995). 10.1103/PhysRevB.52.R5467
-
(1995)
Phys. Rev. B
, vol.52
, pp. R5467
-
-
Liechtenstein, A.I.1
Anisimov, V.I.2
Zaanen, J.3
-
32
-
-
0012842779
-
First-principles calculations of the electronic structure and spectra of strongly correlated systems: The (Equation presented) method
-
V. I. Anisimov, F. Aryasetiawan, and A. I. Lichtenstein, First-principles calculations of the electronic structure and spectra of strongly correlated systems: The (Equation presented) method, J. Phys.: Condens. Matter 9, 767 (1997). 10.1088/0953-8984/9/4/002
-
(1997)
J. Phys.: Condens. Matter
, vol.9
, pp. 767
-
-
Anisimov, V.I.1
Aryasetiawan, F.2
Lichtenstein, A.I.3
-
33
-
-
33750025316
-
Hole localization in Al doped silica: A (Equation presented) description
-
M. Nolan and G. W. Watson, Hole localization in Al doped silica: A (Equation presented) description, J. Chem. Phys. 125, 144701 (2006). 10.1063/1.2354468
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 144701
-
-
Nolan, M.1
Watson, G.W.2
-
34
-
-
20444445821
-
The electronic structure of alkali doped alkaline earth metal oxides: Li doping of MgO studied with DFT-GGA and (Equation presented)
-
M. Nolan and G. W. Watson, The electronic structure of alkali doped alkaline earth metal oxides: Li doping of MgO studied with DFT-GGA and (Equation presented), Surf. Sci. 586, 25 (2005). 10.1016/j.susc.2005.04.046
-
(2005)
Surf. Sci.
, vol.586
, pp. 25
-
-
Nolan, M.1
Watson, G.W.2
-
35
-
-
0000511775
-
Effect of exchange and correlation on bulk properties of MgO, NiO, and CoO
-
T. Bredow and A. R. Gerson, Effect of exchange and correlation on bulk properties of MgO, NiO, and CoO, Phys. Rev. B 61, 5194 (2000). 10.1103/PhysRevB.61.5194
-
(2000)
Phys. Rev. B
, vol.61
, pp. 5194
-
-
Bredow, T.1
Gerson, A.R.2
-
36
-
-
15444366598
-
Linear response approach to the calculation of the effective interaction parameters in the (Equation presented) method
-
M. Cococcioni and S. de Gironcoli, Linear response approach to the calculation of the effective interaction parameters in the (Equation presented) method, Phys. Rev. B 71, 035105 (2005). 10.1103/PhysRevB.71.035105
-
(2005)
Phys. Rev. B
, vol.71
, pp. 035105
-
-
Cococcioni, M.1
De Gironcoli, S.2
-
37
-
-
33749233541
-
Density functional theory study of MnO by a hybrid functional approach
-
C. Franchini, V. Bayer, R. Podloucky, J. Paier, and G. Kresse, Density functional theory study of MnO by a hybrid functional approach, Phys. Rev. B 72, 045132 (2005). 10.1103/PhysRevB.72.045132
-
(2005)
Phys. Rev. B
, vol.72
, pp. 045132
-
-
Franchini, C.1
Bayer, V.2
Podloucky, R.3
Paier, J.4
Kresse, G.5
-
38
-
-
84942465334
-
-
Master thesis, École Polytechnique Fédérale de Lausanne
-
J.-R. Moret, Master thesis, École Polytechnique Fédérale de Lausanne, 2009.
-
(2009)
-
-
Moret, J.-R.1
-
39
-
-
67650065437
-
Quasiparticle band structures of the antiferromagnetic transition-metal oxides MnO, FeO, CoO, and NiO
-
C. Rödl, F. Fuchs, J. Furthmüller, and F. Bechstedt, Quasiparticle band structures of the antiferromagnetic transition-metal oxides MnO, FeO, CoO, and NiO, Phys. Rev. B 79, 235114 (2009). 10.1103/PhysRevB.79.235114
-
(2009)
Phys. Rev. B
, vol.79
, pp. 235114
-
-
Rödl, C.1
Fuchs, F.2
Furthmüller, J.3
Bechstedt, F.4
-
40
-
-
84876381145
-
Accurate screened exchange band structures for the transition metal monoxides MnO, FeO, CoO and NiO
-
R. Gillen and J. Robertson, Accurate screened exchange band structures for the transition metal monoxides MnO, FeO, CoO and NiO, J. Phys.: Condens. Matter 25, 165502 (2013). 10.1088/0953-8984/25/16/165502
-
(2013)
J. Phys.: Condens. Matter
, vol.25
, pp. 165502
-
-
Gillen, R.1
Robertson, J.2
-
41
-
-
13944258932
-
First-principles prediction of redox potentials in transition-metal compounds with (Equation presented)
-
F. Zhou, M. Cococcioni, C. A. Marianetti, D. Morgan, and G. Ceder, First-principles prediction of redox potentials in transition-metal compounds with (Equation presented), Phys. Rev. B 70, 235121 (2004). 10.1103/PhysRevB.70.235121
-
(2004)
Phys. Rev. B
, vol.70
, pp. 235121
-
-
Zhou, F.1
Cococcioni, M.2
Marianetti, C.A.3
Morgan, D.4
Ceder, G.5
-
42
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
A. D. Becke, Density-functional thermochemistry. III. The role of exact exchange, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
43
-
-
77957555115
-
Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds
-
V. L. Chevrier, S. P. Ong, R. Armiento, M. K. Y. Chan, and G. Ceder, Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds, Phys. Rev. B 82, 075122 (2010). 10.1103/PhysRevB.82.075122
-
(2010)
Phys. Rev. B
, vol.82
, pp. 075122
-
-
Chevrier, V.L.1
Ong, S.P.2
Armiento, R.3
Chan, M.K.Y.4
Ceder, G.5
-
44
-
-
84857740616
-
Low hole polaron migration barrier in lithium peroxide
-
S. P. Ong, Y. Mo, and G. Ceder, Low hole polaron migration barrier in lithium peroxide, Phys. Rev. B 85, 081105 (2012). 10.1103/PhysRevB.85.081105
-
(2012)
Phys. Rev. B
, vol.85
, pp. 081105
-
-
Ong, S.P.1
Mo, Y.2
Ceder, G.3
-
45
-
-
0037799714
-
Hybrid functionals based on a screened Coulomb potential
-
J. Heyd, G. E. Scuseria, and M. Ernzerhof, Hybrid functionals based on a screened Coulomb potential, J. Chem. Phys. 118, 8207 (2003). 10.1063/1.1564060
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8207
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
46
-
-
3242884626
-
Efficient hybrid density functional calculations in solids: Assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional
-
J. Heyd and G. E. Scuseria, Efficient hybrid density functional calculations in solids: Assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional, J. Chem. Phys. 121, 1187 (2004). 10.1063/1.1760074
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 1187
-
-
Heyd, J.1
Scuseria, G.E.2
-
47
-
-
27644519159
-
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
-
J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional, J. Chem. Phys. 123, 174101 (2005). 10.1063/1.2085170
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 174101
-
-
Heyd, J.1
Peralta, J.E.2
Scuseria, G.E.3
Martin, R.L.4
-
48
-
-
34547139312
-
Erratum: "hybrid functionals based on a screened Coulomb potential" [J. Chem. Phys. 118, 8207 (2003)]
-
J. Heyd, G. E. Scuseria, and M. Ernzerhof, Erratum: "Hybrid functionals based on a screened Coulomb potential" [J. Chem. Phys. 118, 8207 (2003)], J. Chem. Phys. 124, 219906 (2006). 10.1063/1.2204597
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 219906
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
49
-
-
33845518500
-
Influence of the exchange screening parameter on the performance of screened hybrid functionals
-
A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, Influence of the exchange screening parameter on the performance of screened hybrid functionals, J. Chem. Phys. 125, 224106 (2006). 10.1063/1.2404663
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 224106
-
-
Krukau, A.V.1
Vydrov, O.A.2
Izmaylov, A.F.3
Scuseria, G.E.4
-
50
-
-
77956698790
-
First-principles modeling of localized states with the (Equation presented) approach
-
H. Jiang, R. I. Gomez-Abal, P. Rinke, and M. Scheffler, First-principles modeling of localized states with the (Equation presented) approach, Phys. Rev. B 82, 045108 (2010). 10.1103/PhysRevB.82.045108
-
(2010)
Phys. Rev. B
, vol.82
, pp. 045108
-
-
Jiang, H.1
Gomez-Abal, R.I.2
Rinke, P.3
Scheffler, M.4
-
51
-
-
33751157732
-
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
-
P. Stephens and F. Devlin, Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields, J. Phys. Chem. 98, 11623 (1994). 10.1021/j100096a001
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.1
Devlin, F.2
-
52
-
-
0037439837
-
Local hybrid functionals
-
J. Jaramillo, G. E. Scuseria, and M. Ernzerhof, Local hybrid functionals, J. Chem. Phys. 118, 1068 (2003). 10.1063/1.1528936
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 1068
-
-
Jaramillo, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
53
-
-
36048999106
-
Local hybrid functionals based on density matrix products
-
B. G. Janesko and G. E. Scuseria, Local hybrid functionals based on density matrix products, J. Chem. Phys. 127, 164117 (2007). 10.1063/1.2784406
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 164117
-
-
Janesko, B.G.1
Scuseria, G.E.2
-
54
-
-
58149240085
-
Range separation and local hybridization in density functional theory
-
T. M. Henderson, B. G. Janesko, and G. E. Scuseria, Range separation and local hybridization in density functional theory, J. Phys. Chem. A 112, 12530 (2008). 10.1021/jp806573k
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 12530
-
-
Henderson, T.M.1
Janesko, B.G.2
Scuseria, G.E.3
-
55
-
-
52949088984
-
Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization
-
B. G. Janesko, A. V. Krukau, and G. E. Scuseria, Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization, J. Chem. Phys. 129, 124110 (2008). 10.1063/1.2980056
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 124110
-
-
Janesko, B.G.1
Krukau, A.V.2
Scuseria, G.E.3
-
56
-
-
0001475454
-
Toward reliable density functional methods without adjustable parameters: The PBE0 model
-
C. Adamo and V. Barone, Toward reliable density functional methods without adjustable parameters: The PBE0 model, J. Chem. Phys. 110, 6158 (1999). 10.1063/1.478522
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6158
-
-
Adamo, C.1
Barone, V.2
-
57
-
-
0000857501
-
Hybrid schemes combining the Hartree-Fock method and density-functional theory: Underlying formalism and properties of correlation functionals
-
A. Görling and M. Levy, Hybrid schemes combining the Hartree-Fock method and density-functional theory: Underlying formalism and properties of correlation functionals, J. Chem. Phys. 106, 2675 (1997). 10.1063/1.473369
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 2675
-
-
Görling, A.1
Levy, M.2
-
58
-
-
0001322105
-
Rationale for mixing exact exchange with density functional approximations
-
J. P. Perdew, M. Ernzerhof, and K. Burke, Rationale for mixing exact exchange with density functional approximations, J. Chem. Phys. 105, 9982 (1996). 10.1063/1.472933
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 9982
-
-
Perdew, J.P.1
Ernzerhof, M.2
Burke, K.3
-
59
-
-
25544479230
-
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
-
M. S. Hybertsen and S. G. Louie, Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies, Phys. Rev. B 34, 5390 (1986). 10.1103/PhysRevB.34.5390
-
(1986)
Phys. Rev. B
, vol.34
, pp. 5390
-
-
Hybertsen, M.S.1
Louie, S.G.2
-
60
-
-
80255135612
-
Hybrid functional study on structural and electronic properties of oxides
-
S. Park, B. Lee, S. H. Jeon, and S. Han, Hybrid functional study on structural and electronic properties of oxides, Curr. Appl. Phys. 11, S337 (2011). 10.1016/j.cap.2010.09.008
-
(2011)
Curr. Appl. Phys.
, vol.11
, pp. S337
-
-
Park, S.1
Lee, B.2
Jeon, S.H.3
Han, S.4
-
61
-
-
78651362113
-
Comparative study on the performance of hybrid DFT functionals in highly correlated oxides: The case of (Equation presented) and (Equation presented)
-
J. S. Graciani, A. M. Márquez, J. J. Plata, Y. Ortega, N. C. Hernández, A. Meyer, C. M. Zicovich-Wilson, and J. F. Sanz, Comparative study on the performance of hybrid DFT functionals in highly correlated oxides: The case of (Equation presented) and (Equation presented), J. Chem. Theory Comput. 7, 56 (2010). 10.1021/ct100430q
-
(2010)
J. Chem. Theory Comput.
, vol.7
, pp. 56
-
-
Graciani, J.S.1
Márquez, A.M.2
Plata, J.J.3
Ortega, Y.4
Hernández, N.C.5
Meyer, A.6
Zicovich-Wilson, C.M.7
Sanz, J.F.8
-
62
-
-
84882706507
-
Charge transport in lithium peroxide: Relevance for rechargeable metal-air batteries
-
M. D. Radin and D. J. Siegel, Charge transport in lithium peroxide: relevance for rechargeable metal-air batteries, Energy Environ. Sci. 6, 2370 (2013). 10.1039/c3ee41632a
-
(2013)
Energy Environ. Sci.
, vol.6
, pp. 2370
-
-
Radin, M.D.1
Siegel, D.J.2
-
63
-
-
4243943295
-
Generalized Gradient Approximation Made Simple
-
J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
64
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
G. Kresse and J. Furthmuller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15
-
-
Kresse, G.1
Furthmuller, J.2
-
65
-
-
0002768392
-
Cobalt(III) lithium oxide, (Equation presented): Structure refinement by powder neutron diffraction
-
H. J. Orman and P. J. Wiseman, Cobalt(III) lithium oxide, (Equation presented): structure refinement by powder neutron diffraction, Acta Crystallograph. Sect. C 40, 12 (1984). 10.1107/S0108270184002833
-
(1984)
Acta Crystallograph. Sect. C
, vol.40
, pp. 12
-
-
Orman, H.J.1
Wiseman, P.J.2
-
66
-
-
80052443869
-
Charge disproportionation and Jahn-Teller distortion in (Equation presented) and (Equation presented): A density functional theory study
-
H. Chen, C. L. Freeman, and J. H. Harding, Charge disproportionation and Jahn-Teller distortion in (Equation presented) and (Equation presented): A density functional theory study, Phys. Rev. B 84, 085108 (2011). 10.1103/PhysRevB.84.085108
-
(2011)
Phys. Rev. B
, vol.84
, pp. 085108
-
-
Chen, H.1
Freeman, C.L.2
Harding, J.H.3
-
67
-
-
0001486791
-
Electron-energy-loss spectra and the structural stability of nickel oxide: An (Equation presented) study
-
S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Electron-energy-loss spectra and the structural stability of nickel oxide: An (Equation presented) study, Phys. Rev. B 57, 1505 (1998). 10.1103/PhysRevB.57.1505
-
(1998)
Phys. Rev. B
, vol.57
, pp. 1505
-
-
Dudarev, S.L.1
Botton, G.A.2
Savrasov, S.Y.3
Humphreys, C.J.4
Sutton, A.P.5
-
68
-
-
79961228117
-
Formation enthalpies by mixing GGA and (Equation presented) calculations
-
A. Jain, G. Hautier, S. P. Ong, C. J. Moore, C. C. Fischer, K. A. Persson, and G. Ceder, Formation enthalpies by mixing GGA and (Equation presented) calculations, Phys. Rev. B 84, 045115 (2011). 10.1103/PhysRevB.84.045115
-
(2011)
Phys. Rev. B
, vol.84
, pp. 045115
-
-
Jain, A.1
Hautier, G.2
Ong, S.P.3
Moore, C.J.4
Fischer, C.C.5
Persson, K.A.6
Ceder, G.7
-
69
-
-
33845870954
-
Erratum: "screened hybrid density functionals applied to solids" [J. Chem. Phys. 124, 154709 (2006)]
-
J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, and J. G. Ángyán, Erratum: "Screened hybrid density functionals applied to solids" [J. Chem. Phys. 124, 154709 (2006)], J. Chem. Phys. 125, 249901 (2006). 10.1063/1.2403866
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 249901
-
-
Paier, J.1
Marsman, M.2
Hummer, K.3
Kresse, G.4
Gerber, I.C.5
Ángyán, J.G.6
-
70
-
-
68249106742
-
Can short-range hybrids describe long-range-dependent properties?
-
T. M. Henderson, A. F. Izmaylov, G. Scalmani, and G. E. Scuseria, Can short-range hybrids describe long-range-dependent properties?, J. Chem. Phys. 131, 044108 (2009). 10.1063/1.3185673
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 044108
-
-
Henderson, T.M.1
Izmaylov, A.F.2
Scalmani, G.3
Scuseria, G.E.4
-
71
-
-
36149016819
-
New method for calculating the one-particle green's function with application to the electron-gas problem
-
L. Hedin, New method for calculating the one-particle green's function with application to the electron-gas problem, Phys. Rev. 139, A796 (1965). 10.1103/PhysRev.139.A796
-
(1965)
Phys. Rev.
, vol.139
, pp. A796
-
-
Hedin, L.1
-
72
-
-
80051718526
-
Testing variations of the GW approximation on strongly correlated transition metal oxides: Hematite (Equation presented) as a benchmark
-
P. Liao and E. A. Carter, Testing variations of the GW approximation on strongly correlated transition metal oxides: hematite (Equation presented) as a benchmark, Phys. Chem. Chem. Phys. 13, 15189 (2011). 10.1039/c1cp20829b
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 15189
-
-
Liao, P.1
Carter, E.A.2
-
73
-
-
84893876032
-
Significant reduction in NiO band gap upon formation of (Equation presented) alloys: Applications to solar energy conversion
-
N. Alidoust, M. C. Toroker, J. A. Keith, and E. A. Carter, Significant reduction in NiO band gap upon formation of (Equation presented) alloys: Applications to solar energy conversion, ChemSusChem 7, 195 (2014). 10.1002/cssc.201300595
-
(2014)
ChemSusChem
, vol.7
, pp. 195
-
-
Alidoust, N.1
Toroker, M.C.2
Keith, J.A.3
Carter, E.A.4
-
74
-
-
0034273309
-
Excitonic Effects in Core-Excitation Spectra of Semiconductors
-
R. Buczko, G. Duscher, S. J. Pennycook, and S. T. Pantelides, Excitonic Effects in Core-Excitation Spectra of Semiconductors, Phys. Rev. Lett. 85, 2168 (2000). 10.1103/PhysRevLett.85.2168
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 2168
-
-
Buczko, R.1
Duscher, G.2
Pennycook, S.J.3
Pantelides, S.T.4
-
75
-
-
0035109720
-
Density-functional modelling of core-hole effects in electron energy-loss near-edge spectra
-
C. Elsässer and S. Köstlmeier, Density-functional modelling of core-hole effects in electron energy-loss near-edge spectra, Ultramicroscopy 86, 325 (2001). 10.1016/S0304-3991(00)00123-6
-
(2001)
Ultramicroscopy
, vol.86
, pp. 325
-
-
Elsässer, C.1
Köstlmeier, S.2
-
76
-
-
33744664781
-
Magnitude and Origin of the Band Gap in NiO
-
G. A. Sawatzky and J. W. Allen, Magnitude and Origin of the Band Gap in NiO, Phys. Rev. Lett. 53, 2339 (1984). 10.1103/PhysRevLett.53.2339
-
(1984)
Phys. Rev. Lett.
, vol.53
, pp. 2339
-
-
Sawatzky, G.A.1
Allen, J.W.2
-
77
-
-
0000841125
-
Electronic structure of 3d-transition-metal oxides: On-site Coulomb repulsion versus covalency
-
R. Zimmermann, P. Steiner, R. Claessen, F. Reinert, S. Hüfner, P. Blaha, and P. Dufek, Electronic structure of 3d-transition-metal oxides: On-site Coulomb repulsion versus covalency, J. Phys.: Condens. Matter 11, 1657 (1999). 10.1088/0953-8984/11/7/002
-
(1999)
J. Phys.: Condens. Matter
, vol.11
, pp. 1657
-
-
Zimmermann, R.1
Steiner, P.2
Claessen, R.3
Reinert, F.4
Hüfner, S.5
Blaha, P.6
Dufek, P.7
-
78
-
-
35949004999
-
Electron-energy-loss core-edge structures in manganese oxides
-
H. Kurata and C. Colliex, Electron-energy-loss core-edge structures in manganese oxides, Phys. Rev. B 48, 2102 (1993). 10.1103/PhysRevB.48.2102
-
(1993)
Phys. Rev. B
, vol.48
, pp. 2102
-
-
Kurata, H.1
Colliex, C.2
-
79
-
-
3042545014
-
Electron-energy-loss spectra of NiO
-
L. V. Dobysheva, P. L. Potapov, and D. Schryvers, Electron-energy-loss spectra of NiO, Phys. Rev. B 69, 184404 (2004). 10.1103/PhysRevB.69.184404
-
(2004)
Phys. Rev. B
, vol.69
, pp. 184404
-
-
Dobysheva, L.V.1
Potapov, P.L.2
Schryvers, D.3
-
80
-
-
58349112297
-
Electronic structure of defective lithium cobaltites (Equation presented)
-
V. R. Galakhov, M. Neumann, and D. G. Kellerman, Electronic structure of defective lithium cobaltites (Equation presented), Appl. Phys. A 94, 497 (2009). 10.1007/s00339-008-4912-5
-
(2009)
Appl. Phys. A
, vol.94
, pp. 497
-
-
Galakhov, V.R.1
Neumann, M.2
Kellerman, D.G.3
-
81
-
-
0030110354
-
(Equation presented), the end member of the (Equation presented) solid solution
-
G. G. Amatucci, J. M. Tarascon, and L. C. Klein, (Equation presented), the end member of the (Equation presented) solid solution, J. Electrochem. Soc. 143, 1114 (1996). 10.1149/1.1836594
-
(1996)
J. Electrochem. Soc.
, vol.143
, pp. 1114
-
-
Amatucci, G.G.1
Tarascon, J.M.2
Klein, L.C.3
-
82
-
-
0033340317
-
Phase diagrams of lithium transition metal oxides: Investigations from first principles
-
G. Ceder and A. Van der Ven, Phase diagrams of lithium transition metal oxides: investigations from first principles, Electrochim. Acta 45, 131 (1999). 10.1016/S0013-4686(99)00199-1
-
(1999)
Electrochim. Acta
, vol.45
, pp. 131
-
-
Ceder, G.1
Van Der Ven, A.2
-
83
-
-
84865461822
-
Correlation of lithium ion distribution and X-ray absorption near-edge structure in O3- and O2-lithium cobalt oxides from first-principle calculation
-
T. Okumura, Y. Yamaguchi, M. Shikano, and H. Kobayashi, Correlation of lithium ion distribution and X-ray absorption near-edge structure in O3- and O2-lithium cobalt oxides from first-principle calculation, J. Mater. Chem. 22, 17340 (2012). 10.1039/c2jm32024j
-
(2012)
J. Mater. Chem.
, vol.22
, pp. 17340
-
-
Okumura, T.1
Yamaguchi, Y.2
Shikano, M.3
Kobayashi, H.4
-
84
-
-
0033018423
-
The insulator-metal transition upon lithium deintercalation from (Equation presented): Electronic properties and 7Li NMR study
-
M. Menetrier, I. Saadoune, S. Levasseur, and C. Delmas, The insulator-metal transition upon lithium deintercalation from (Equation presented): electronic properties and 7Li NMR study, J. Mater. Chem. 9, 1135 (1999). 10.1039/a900016j
-
(1999)
J. Mater. Chem.
, vol.9
, pp. 1135
-
-
Menetrier, M.1
Saadoune, I.2
Levasseur, S.3
Delmas, C.4
-
85
-
-
4444315078
-
A first-order Mott transition in (Equation presented)
-
C. A. Marianetti, G. Kotliar, and G. Ceder, A first-order Mott transition in (Equation presented), Nat. Mater. 3, 627 (2004). 10.1038/nmat1178
-
(2004)
Nat. Mater.
, vol.3
, pp. 627
-
-
Marianetti, C.A.1
Kotliar, G.2
Ceder, G.3
-
86
-
-
0040912845
-
Lithium batteries: A new tool in solid state chemistry
-
C. Delmas, M. Ménétrier, L. Croguennec, S. Levasseur, J. P. Pérès, C. Pouillerie, G. Prado, L. Fournès, and F. Weill, Lithium batteries: A new tool in solid state chemistry, Intl. J. Inorg. Mater. 1, 11 (1999). 10.1016/S1463-0176(99)00003-4
-
(1999)
Intl. J. Inorg. Mater
, vol.1
, pp. 11
-
-
Delmas, C.1
Ménétrier, M.2
Croguennec, L.3
Levasseur, S.4
Pérès, J.P.5
Pouillerie, C.6
Prado, G.7
Fournès, L.8
Weill, F.9
-
87
-
-
0030196355
-
Degree of covalency of (Equation presented): X-ray emission and photoelectron study
-
V. R. Galakhov, E. Z. Kurmaev, S. Uhlenbrock, M. Neumann, D. G. Kellerman, and V. S. Gorshkov, Degree of covalency of (Equation presented): X-ray emission and photoelectron study, Solid State Commun. 99, 221 (1996). 10.1016/0038-1098(96)00251-7
-
(1996)
Solid State Commun
, vol.99
, pp. 221
-
-
Galakhov, V.R.1
Kurmaev, E.Z.2
Uhlenbrock, S.3
Neumann, M.4
Kellerman, D.G.5
Gorshkov, V.S.6
-
88
-
-
0001117468
-
Electronic structure of Li-doped NiO
-
J. van Elp, H. Eskes, P. Kuiper, and G. A. Sawatzky, Electronic structure of Li-doped NiO, Phys. Rev. B 45, 1612 (1992). 10.1103/PhysRevB.45.1612
-
(1992)
Phys. Rev. B
, vol.45
, pp. 1612
-
-
Van Elp, J.1
Eskes, H.2
Kuiper, P.3
Sawatzky, G.A.4
-
89
-
-
30244465641
-
Electronic structure of 3d-transition-metal compounds by analysis of the 2p core-level photoemission spectra
-
A. E. Bocquet, T. Mizokawa, T. Saitoh, H. Namatame, and A. Fujimori, Electronic structure of 3d-transition-metal compounds by analysis of the 2p core-level photoemission spectra, Phys. Rev. B 46, 3771 (1992). 10.1103/PhysRevB.46.3771
-
(1992)
Phys. Rev. B
, vol.46
, pp. 3771
-
-
Bocquet, A.E.1
Mizokawa, T.2
Saitoh, T.3
Namatame, H.4
Fujimori, A.5
|