메뉴 건너뛰기




Volumn 85, Issue 11, 2012, Pages

Role of nonlocal exchange in the electronic structure of correlated oxides

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84859258152     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.115129     Document Type: Article
Times cited : (71)

References (96)
  • 1
    • 0042113153 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.140.A1133 A
    • W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 A 140, 1133 (1965).
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 2
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996);
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 3
    • 4944232881 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396 78, 1396 (E) (1997).
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1396
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 6
    • 4243209020 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.51.1888
    • L. J. Sham and M. Schlüter, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.51.1888 51, 1888 (1983).
    • (1983) Phys. Rev. Lett. , vol.51 , pp. 1888
    • Sham, L.J.1    Schlüter, M.2
  • 7
    • 3343011193 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.51.1884
    • J. P. Perdew and M. Levy, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.51.1884 51, 1884 (1983).
    • (1983) Phys. Rev. Lett. , vol.51 , pp. 1884
    • Perdew, J.P.1    Levy, M.2
  • 8
    • 35949017831 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.56.2415
    • R. W. Godby, M. Schlüter, and L. J. Sham, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.56.2415 56, 2415 (1986).
    • (1986) Phys. Rev. Lett. , vol.56 , pp. 2415
    • Godby, R.W.1    Schlüter, M.2    Sham, L.J.3
  • 9
    • 41949121296 scopus 로고    scopus 로고
    • Localization and delocalization errors in density functional theory and implications for band-gap prediction
    • DOI 10.1103/PhysRevLett.100.146401
    • P. Mori-Sánchez, A. J. Cohen, and W. T. Yang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.146401 100, 146401 (2008). (Pubitemid 351514277)
    • (2008) Physical Review Letters , vol.100 , Issue.14 , pp. 146401
    • Mori-Sanchez, P.1    Cohen, A.J.2    Yang, W.3
  • 10
    • 0036057017 scopus 로고    scopus 로고
    • RMPHAT 0034-6861 10.1103/RevModPhys.74.601
    • G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002).
    • (2002) Rev. Mod. Phys. , vol.74 , pp. 601
    • Onida, G.1    Reining, L.2    Rubio, A.3
  • 11
    • 33744818476 scopus 로고    scopus 로고
    • Quasiparticle self-consistent GW theory
    • DOI 10.1103/PhysRevLett.96.226402
    • M. van Schilfgaarde, T. Kotani, and S. Faleev, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.226402 96, 226402 (2006). (Pubitemid 43839566)
    • (2006) Physical Review Letters , vol.96 , Issue.22 , pp. 226402
    • Van Schilfgaarde, M.1    Kotani, T.2    Faleev, S.3
  • 12
    • 36149016819 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.139.A796 A
    • L. Hedin, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.139.A796 A 139, 796 (1965).
    • (1965) Phys. Rev. , vol.139 , pp. 796
    • Hedin, L.1
  • 13
    • 25544479230 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.34.5390
    • M. S. Hybertsen and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.34.5390 34, 5390 (1986).
    • (1986) Phys. Rev. B , vol.34 , pp. 5390
    • Hybertsen, M.S.1    Louie, S.G.2
  • 15
    • 0001696531 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.41.7868
    • D. M. Bylander and L. Kleinman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.41.7868 41, 7868 (1990).
    • (1990) Phys. Rev. B , vol.41 , pp. 7868
    • Bylander, D.M.1    Kleinman, L.2
  • 17
    • 0001475454 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.478522
    • C. Adamo and V. Barone, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478522 110, 6158 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 6158
    • Adamo, C.1    Barone, V.2
  • 19
    • 34547139312 scopus 로고    scopus 로고
    • Erratum: Hybrid functionals based on a screened Coulomb potential (Journal of Chemical Physics (2003) 118 (8207))
    • DOI 10.1063/1.2204597
    • J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2204597 124, 219906 (E) (2006). (Pubitemid 43877849)
    • (2006) Journal of Chemical Physics , vol.124 , Issue.21 , pp. 219906
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 21
    • 0000857055 scopus 로고    scopus 로고
    • Metal-insulator transitions
    • DOI 10.1103/RevModPhys.70.1039 NUMBER 1
    • M. Imada, A. Fujimori, and Y. Tokura, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.70.1039 70, 1039 (1998). (Pubitemid 128159247)
    • (1998) Reviews of Modern Physics , vol.70 , Issue.4 , pp. 1039-1263
    • Imada, M.1    Fujimori, A.2    Tokura, Y.3
  • 23
    • 4244176615 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.62.2160
    • F. Gygi and A. Baldereschi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.62.2160 62, 2160 (1989).
    • (1989) Phys. Rev. Lett. , vol.62 , pp. 2160
    • Gygi, F.1    Baldereschi, A.2
  • 24
    • 33845518500 scopus 로고    scopus 로고
    • Influence of the exchange screening parameter on the performance of screened hybrid functionals
    • DOI 10.1063/1.2404663
    • A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2404663 125, 224106 (2006). (Pubitemid 44927407)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.22 , pp. 224106
    • Krukau, A.V.1    Vydrov, O.A.2    Izmaylov, A.F.3    Scuseria, G.E.4
  • 26
    • 33751571076 scopus 로고    scopus 로고
    • Many-electron self-interaction error in approximate density functionals
    • DOI 10.1063/1.2403848
    • P. Mori-Sánchez, A. J. Cohen, and W. T. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2403848 125, 201102 (2006). (Pubitemid 44847655)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.20 , pp. 201102
    • Mori-Sanchez, P.1    Cohen, A.J.2    Yang, W.3
  • 27
  • 28
    • 36149005506 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.90.317
    • R. T. Sharp and G. K. Horton, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.90.317 90, 317 (1953);
    • (1953) Phys. Rev. , vol.90 , pp. 317
    • Sharp, R.T.1    Horton, G.K.2
  • 29
    • 0001847092 scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.14.36
    • J. D. Talman and W. F. Shadwick, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.14.36 14, 36 (1976).
    • (1976) Phys. Rev. A , vol.14 , pp. 36
    • Talman, J.D.1    Shadwick, W.F.2
  • 32
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
    • G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996); (Pubitemid 126412269)
    • (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 33
    • 2442537377 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.54.11169
    • G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 36
    • 79961070800 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.107.016401
    • V. Eyert, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107. 016401 107, 016401 (2011).
    • (2011) Phys. Rev. Lett. , vol.107 , pp. 016401
    • Eyert, V.1
  • 37
    • 4244014869 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.3.34
    • F. J. Morin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.3.34 3, 34 (1959).
    • (1959) Phys. Rev. Lett. , vol.3 , pp. 34
    • Morin, F.J.1
  • 38
    • 0000273683 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.11.4383
    • A. Zylbersztejn and N. F. Mott, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.11.4383 11, 4383 (1975).
    • (1975) Phys. Rev. B , vol.11 , pp. 4383
    • Zylbersztejn, A.1    Mott, N.F.2
  • 40
    • 0036906760 scopus 로고    scopus 로고
    • ANPYA2 0003-3804 10.1002/1521-3889(200210)11:9<650::AID-ANDP650>3. 0.CO;2-K
    • V. Eyert, Ann. Phys. (Berlin) ANPYA2 0003-3804 10.1002/1521-3889(200210) 11:9<650::AID-ANDP650>3.0.CO;2-K 11, 650 (2002).
    • (2002) Ann. Phys. (Berlin) , vol.11 , pp. 650
    • Eyert, V.1
  • 45
  • 48
    • 50849089940 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.78.075106
    • R. Sakuma, T. Miyake, and F. Aryasetiawan, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.075106 78, 075106 (2008).
    • (2008) Phys. Rev. B , vol.78 , pp. 075106
    • Sakuma, R.1    Miyake, T.2    Aryasetiawan, F.3
  • 51
    • 0000560711 scopus 로고
    • ACHSE7 0904-213X 10.3891/acta.chem.scand.24-0420
    • J. M. Longo and P. Kierkegaard, Acta Chem. Scand. ACHSE7 0904-213X 10.3891/acta.chem.scand.24-0420 24, 420 (1970).
    • (1970) Acta Chem. Scand. , vol.24 , pp. 420
    • Longo, J.M.1    Kierkegaard, P.2
  • 53
    • 44449101235 scopus 로고    scopus 로고
    • See, e.g., CRPOBN 1631-0705 10.1016/j.crhy.2007.04.005
    • See, e.g., G. Panaccione, F. Offi, M. Sacchi, and P. Torelli, C. R. Physique CRPOBN 1631-0705 10.1016/j.crhy.2007.04.005 9, 524 (2008);
    • (2008) C. R. Physique , vol.9 , pp. 524
    • Panaccione, G.1    Offi, F.2    Sacchi, M.3    Torelli, P.4
  • 54
    • 61849113304 scopus 로고    scopus 로고
    • 0168-9002 10.1016/j.nima.2008.12.188
    • K. Kobayashi, Nucl. Instrum. Methods A 0168-9002 10.1016/j.nima.2008.12. 188 601, 32 (2009).
    • (2009) Nucl. Instrum. Methods A , vol.601 , pp. 32
    • Kobayashi, K.1
  • 63
    • 0000134787 scopus 로고
    • JPCSAW 0022-3697 10.1016/0022-3697(70)90076-4
    • P. D. Dernier, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(70)90076-4 31, 2569 (1970).
    • (1970) J. Phys. Chem. Solids , vol.31 , pp. 2569
    • Dernier, P.D.1
  • 64
    • 0000520882 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.2.3771
    • P. D. Dernier and M. Marezio, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.2.3771 2, 3771 (1970).
    • (1970) Phys. Rev. B , vol.2 , pp. 3771
    • Dernier, P.D.1    Marezio, M.2
  • 65
    • 0014827808 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.25.527
    • R. M. Moon, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.25.527 25, 527 (1970).
    • (1970) Phys. Rev. Lett. , vol.25 , pp. 527
    • Moon, R.M.1
  • 68
    • 0040630200 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.174.1020
    • J. M. Honig and T. B. Reed, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.174.1020 174, 1020 (1968).
    • (1968) Phys. Rev. , vol.174 , pp. 1020
    • Honig, J.M.1    Reed, T.B.2
  • 70
  • 71
    • 0030218354 scopus 로고    scopus 로고
    • JCOMEL 0953-8984 10.1088/0953-8984/8/33/007
    • L. F. Mattheis, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/8/33/007 8, 5987 (1996).
    • (1996) J. Phys.: Condens. Matter , vol.8 , pp. 5987
    • Mattheis, L.F.1
  • 74
    • 84859238754 scopus 로고    scopus 로고
    • Ph. D. thesis, Universität zu Köln, Germany
    • T. C. Koethe, Ph. D. thesis, Universität zu Köln, Germany, 2006 [http://kups.ub.uni-koeln.de/1929].
    • (2006)
    • Koethe, T.C.1
  • 76
    • 0001607580 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.55.16122
    • M. Catti, G. Sandrone, and R. Dovesi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.55.16122 55, 16122 (1997).
    • (1997) Phys. Rev. B , vol.55 , pp. 16122
    • Catti, M.1    Sandrone, G.2    Dovesi, R.3
  • 78
    • 0001665899 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.53.7158
    • I. Solovyev, N. Hamada, and K. Terakura, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.53.7158 53, 7158 (1996).
    • (1996) Phys. Rev. B , vol.53 , pp. 7158
    • Solovyev, I.1    Hamada, N.2    Terakura, K.3
  • 79
    • 0000588326 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.58.6831
    • H. Sawada and K. Terakura, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.58.6831 58, 6831 (1998).
    • (1998) Phys. Rev. B , vol.58 , pp. 6831
    • Sawada, H.1    Terakura, K.2
  • 83
    • 34848924017 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.76.115128
    • L. Craco, S. Leoni, M. S. Laad, and H. Rosner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.115128 76, 115128 (2007).
    • (2007) Phys. Rev. B , vol.76 , pp. 115128
    • Craco, L.1    Leoni, S.2    Laad, M.S.3    Rosner, H.4
  • 86
    • 0034296458 scopus 로고    scopus 로고
    • 3
    • DOI 10.1103/PhysRevLett.85.3950
    • G. Khaliullin and S. Maekawa, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.3950 85, 3950 (2000). (Pubitemid 32027224)
    • (2000) Physical Review Letters , vol.85 , Issue.18 , pp. 3950-3953
    • Khaliullin, G.1    Maekawa, S.2
  • 88
    • 9744225151 scopus 로고    scopus 로고
    • Orbital physics in the perovskite Ti oxides
    • DOI 10.1088/1367-2630/6/1/154, PII S1367263004829793
    • M. Mochizuki and M. Imada, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/6/1/154 6, 154 (2004). (Pubitemid 39587891)
    • (2004) New Journal of Physics , vol.6 , pp. 1-42
    • Mochizuki, M.1    Imada, M.2
  • 90
    • 84859238758 scopus 로고    scopus 로고
    • Ph. D. thesis, Universität zu Köln, Germany
    • H. Roth, Ph. D. thesis, Universität zu Köln, Germany, 2008, [http://kups.ub.uni-koeln.de/2335].
    • (2008)
    • Roth, H.1
  • 93
    • 0004032707 scopus 로고
    • Taylor & Francis, London - 139
    • N. Mott, Metal-Insulator Transitions, 2nd ed. (Taylor & Francis, London, 1990), pp. 138 - 139.
    • (1990) Metal-Insulator Transitions , pp. 138
    • Mott, N.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.