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Volumn 107, Issue 21, 2011, Pages

Optics of semiconductors from meta-generalized-gradient-approximation-based time-dependent density-functional theory

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONALS; DENSITY-DEPENDENT; EXCHANGE-CORRELATION FUNCTIONALS; EXCHANGE-CORRELATION KERNEL; EXCHANGE-CORRELATION POTENTIAL; GENERALIZED GRADIENT APPROXIMATIONS; LOCAL-DENSITY; NONLOCALITIES; OPTICAL SPECTRA; SOLID-STATE SYSTEM; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT; WAVE VECTOR; ZINCBLENDE SEMICONDUCTORS;

EID: 81455159138     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.107.216402     Document Type: Article
Times cited : (84)

References (34)
  • 1
    • 14244267218 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.43.387
    • W. Hanke and L.J. Sham, Phys. Rev. Lett. 43, 387 (1979); PRLTAO 0031-9007 10.1103/PhysRevLett.43.387
    • (1979) Phys. Rev. Lett. , vol.43 , pp. 387
    • Hanke, W.1    Sham, L.J.2
  • 2
    • 4243813292 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.21.4656
    • W. Hanke L.J. Sham Phys. Rev. B PRBMDO 0163-1829 21, 4656 (1980). 10.1103/PhysRevB.21.4656
    • (1980) Phys. Rev. B , vol.21 , pp. 4656
    • Hanke, W.1    Sham, L.J.2
  • 3
    • 0001110771 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.55.1418
    • M.S. Hybertsen and S.G. Louie, Phys. Rev. Lett. 55, 1418 (1985); PRLTAO 0031-9007 10.1103/PhysRevLett.55.1418
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 1418
    • Hybertsen, M.S.1    Louie, S.G.2
  • 5
    • 0037120381 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.89.126401
    • W. Ku and A.G. Eguiluz, Phys. Rev. Lett. 89, 126401 (2002). PRLTAO 0031-9007 10.1103/PhysRevLett.89.126401
    • (2002) Phys. Rev. Lett. , vol.89 , pp. 126401
    • Ku, W.1    Eguiluz, A.G.2
  • 6
    • 0001169488 scopus 로고
    • PLRAAN 0556-2791 10.1103/PhysRevA.21.1561
    • A. Zangwill and P. Soven, Phys. Rev. A 21, 1561 (1980); PLRAAN 0556-2791 10.1103/PhysRevA.21.1561
    • (1980) Phys. Rev. A , vol.21 , pp. 1561
    • Zangwill, A.1    Soven, P.2
  • 7
    • 0012597289 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.52.997
    • E. Runge and E.K.U. Gross, Phys. Rev. Lett. 52, 997 (1984); PRLTAO 0031-9007 10.1103/PhysRevLett.52.997
    • (1984) Phys. Rev. Lett. , vol.52 , pp. 997
    • Runge, E.1    Gross, E.K.U.2
  • 8
    • 33645944934 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.55.2850
    • E.K.U. Gross and W. Kohn, Phys. Rev. Lett. 55, 2850 (1985). PRLTAO 0031-9007 10.1103/PhysRevLett.55.2850
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2850
    • Gross, E.K.U.1    Kohn, W.2
  • 9
    • 3343014339 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.2037
    • G. Vignale and W. Kohn, Phys. Rev. Lett. 77, 2037 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.2037
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 2037
    • Vignale, G.1    Kohn, W.2
  • 10
    • 33846410438 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.81.385
    • J.C. Slater, Phys. Rev. 81, 385 (1951); PHRVAO 0031-899X 10.1103/PhysRev.81.385
    • (1951) Phys. Rev. , vol.81 , pp. 385
    • Slater, J.C.1
  • 11
    • 36149005506 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.90.317
    • R.T. Sharp and G.K. Horton, Phys. Rev. PHRVAO 0031-899X 90, 317 (1953); 10.1103/PhysRev.90.317
    • (1953) Phys. Rev. , vol.90 , pp. 317
    • Sharp, R.T.1    Horton, G.K.2
  • 12
    • 0001847092 scopus 로고
    • PLRAAN 0556-2791 10.1103/PhysRevA.14.36
    • J.D. Talman and W.F. Shadwick, Phys. Rev. A 14, 36 (1976). PLRAAN 0556-2791 10.1103/PhysRevA.14.36
    • (1976) Phys. Rev. A , vol.14 , pp. 36
    • Talman, J.D.1    Shadwick, W.F.2
  • 13
    • 26544475305 scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.50.196
    • A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994); PLRAAN 1050-2947 10.1103/PhysRevA.50.196
    • (1994) Phys. Rev. A , vol.50 , pp. 196
    • Görling, A.1    Levy, M.2
  • 14
    • 0000974293 scopus 로고    scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.55.2630
    • A. Görling, Phys. Rev. A 55, 2630 (1997). PLRAAN 1050-2947 10.1103/PhysRevA.55.2630
    • (1997) Phys. Rev. A , vol.55 , pp. 2630
    • Görling, A.1
  • 15
    • 38049123534 scopus 로고    scopus 로고
    • RMPHAT 0034-6861 10.1103/RevModPhys.80.3
    • S. Kümmel and L. Kronik, Rev. Mod. Phys. 80, 3 (2008). RMPHAT 0034-6861 10.1103/RevModPhys.80.3
    • (2008) Rev. Mod. Phys. , vol.80 , pp. 3
    • Kümmel, S.1    Kronik, L.2
  • 16
    • 34547237417 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2189226
    • M. Grüning, A. Marini, and A. Rubio, J. Chem. Phys. JCPSA6 0021-9606 124, 154108 (2006). 10.1063/1.2189226
    • (2006) J. Chem. Phys. , vol.124 , pp. 154108
    • Grüning, M.1    Marini, A.2    Rubio, A.3
  • 18
    • 0041917414 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.91.056402
    • F. Sottile, V. Olevano, and L. Reining, Phys. Rev. Lett. 91, 056402 (2003). PRLTAO 0031-9007 10.1103/PhysRevLett.91.056402
    • (2003) Phys. Rev. Lett. , vol.91 , pp. 056402
    • Sottile, F.1    Olevano, V.2    Reining, L.3
  • 20
    • 0037179345 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.89.096402
    • Y.-H. Kim and A. Görling, Phys. Rev. Lett. 89, 096402 (2002). PRLTAO 0031-9007 10.1103/PhysRevLett.89.096402
    • (2002) Phys. Rev. Lett. , vol.89 , pp. 096402
    • Kim, Y.-H.1    Görling, A.2
  • 21
    • 0041920499 scopus 로고    scopus 로고
    • A novel form for the exchange-correlation energy functional
    • DOI 10.1063/1.476577, PII S0021960698001263
    • T.V. Voorhis and G.E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 109, 400 (1998); 10.1063/1.476577 (Pubitemid 128677972)
    • (1998) Journal of Chemical Physics , vol.109 , Issue.2 , pp. 400-410
    • Van Voorhis, T.1    Scuseria, G.E.2
  • 22
    • 57649126624 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.3005348
    • T.V. Voorhis G.E. Scuseria J. Chem. Phys. JCPSA6 0021-9606 129, 219901 (2008). 10.1063/1.3005348
    • (2008) J. Chem. Phys. , vol.129 , pp. 219901
    • Voorhis, T.V.1    Scuseria, G.E.2
  • 24
    • 33745137071 scopus 로고    scopus 로고
    • A simple effective potential for exchange
    • DOI 10.1063/1.2213970
    • A.D. Becke and E.R. Johnson, J. Chem. Phys. JCPSA6 0021-9606 124, 221101 (2006). 10.1063/1.2213970 (Pubitemid 43893829)
    • (2006) Journal of Chemical Physics , vol.124 , Issue.22 , pp. 221101
    • Becke, A.D.1    Johnson, E.R.2
  • 25
    • 66649086821 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.102.226401
    • F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.226401
    • (2009) Phys. Rev. Lett. , vol.102 , pp. 226401
    • Tran, F.1    Blaha, P.2
  • 26
    • 0242426432 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/j.cplett.2003.10.009
    • A.V. Arbuznikov and M. Kaupp, Chem. Phys. Lett. 381, 495 (2003). CHPLBC 0009-2614 10.1016/j.cplett.2003.10.009
    • (2003) Chem. Phys. Lett. , vol.381 , pp. 495
    • Arbuznikov, A.V.1    Kaupp, M.2
  • 27
    • 81455149143 scopus 로고    scopus 로고
    • See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.107.216402 for the derivation of Eqs., discussion of VS98 and TPSS, and results for more materials.
  • 28
    • 0000169271 scopus 로고
    • PRBMDO 0556-2805 10.1103/PhysRevB.1.910
    • R.M. Pick, M.H. Cohen, and R.M. Martin, Phys. Rev. B PRBMDO 0556-2805 1, 910 (1970); 10.1103/PhysRevB.1.910
    • (1970) Phys. Rev. B , vol.1 , pp. 910
    • Pick, R.M.1    Cohen, M.H.2    Martin, R.M.3
  • 29
    • 0037101178 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.66.035114
    • Y.-H. Kim and A. Görling, Phys. Rev. B PRBMDO 0163-1829 66, 035114 (2002). 10.1103/PhysRevB.66.035114
    • (2002) Phys. Rev. B , vol.66 , pp. 035114
    • Kim, Y.-H.1    Görling, A.2
  • 31
    • 81455137749 scopus 로고    scopus 로고
    • For xc functionals, calls to the Libxc subroutine library
    • For xc functionals, calls to the Libxc subroutine library (http://www.tddft.org/programs/octopus/wiki/index.php/Libxc) were used throughout.
  • 32
    • 63049112619 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.102.113001
    • V.U. Nazarov, G. Vignale, and Y.-C. Chang, Phys. Rev. Lett. 102, 113001 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.113001
    • (2009) Phys. Rev. Lett. , vol.102 , pp. 113001
    • Nazarov, V.U.1    Vignale, G.2    Chang, Y.-C.3
  • 33
    • 81455135395 scopus 로고    scopus 로고
    • The Elk FP-LAPW code
    • The Elk FP-LAPW code (http://elk.sourceforge.net) with our implementation of MGGA was used.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.