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Volumn 82, Issue 23, 2010, Pages

Ab initio second-order nonlinear optics in solids: Second-harmonic generation spectroscopy from time-dependent density-functional theory

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EID: 78650887858     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.82.235201     Document Type: Article
Times cited : (69)

References (102)
  • 1
    • 6744248168 scopus 로고
    • 10.1038/337519a0
    • Y. R. Shen, Nature (London) 337, 519 (1989). 10.1038/337519a0
    • (1989) Nature (London) , vol.337 , pp. 519
    • Shen, Y.R.1
  • 2
    • 39349093380 scopus 로고    scopus 로고
    • Real-time time-dependent density functional theory approach for frequency-dependent nonlinear optical response in photonic molecules
    • DOI 10.1063/1.2790014
    • Y. Takimoto, F. D. Vila, and J. J. Rehr, J. Chem. Phys. 127, 154114 (2007). 10.1063/1.2790014 (Pubitemid 351260749)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.15 , pp. 154114
    • Takimoto, Y.1    Vila, F.D.2    Rehr, J.J.3
  • 3
    • 84962430588 scopus 로고    scopus 로고
    • Second-harmonic generation of solvated molecules using multiconfigurational self-consistent-field quadratic response theory and the polarizable continuum model
    • DOI 10.1063/1.2055180, 144117
    • L. Frediani, H. Ågren, L. Ferrighi, and K. Ruud, J. Chem. Phys. 123, 144117 (2005). 10.1063/1.2055180 (Pubitemid 41476712)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.14 , pp. 1-14
    • Frediani, L.1    Agren, H.2    Ferrighi, L.3    Ruud, K.4
  • 4
    • 33747597796 scopus 로고    scopus 로고
    • Detection of protein conformational change by optical second-harmonic generation
    • DOI 10.1063/1.2218846
    • J. Salafsky, J. Chem. Phys. 125, 074701 (2006). 10.1063/1.2218846 (Pubitemid 44267439)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.7 , pp. 074701
    • Salafsky, J.S.1
  • 6
    • 0035474279 scopus 로고    scopus 로고
    • Optical second harmonic spectroscopy of semiconductor surfaces: Advances in microscopic understanding
    • DOI 10.1002/sia.1133
    • M. C. Downer, B. S. Mendoza, and V. I. Gavrilenko, Surf. Interface Anal. 31, 966 (2001). 10.1002/sia.1133 (Pubitemid 33012163)
    • (2001) Surface and Interface Analysis , vol.31 , Issue.10 , pp. 966-986
    • Downer, M.C.1    Mendoza, B.S.2    Gavrilenko, V.I.3
  • 9
    • 27144500129 scopus 로고    scopus 로고
    • Ab initio treatment of optical second harmonic generation in NiO
    • DOI 10.1103/PhysRevLett.95.077401, 077401
    • G. Lefkidis and W. Hübner, Phys. Rev. Lett. 95, 077401 (2005). 10.1103/PhysRevLett.95.077401 (Pubitemid 41506017)
    • (2005) Physical Review Letters , vol.95 , Issue.7 , pp. 1-4
    • Lefkidis, G.1    Hubner, W.2
  • 13
    • 42049099515 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.77.155311
    • V. I. Gavrilenko, Phys. Rev. B 77, 155311 (2008). 10.1103/PhysRevB.77. 155311
    • (2008) Phys. Rev. B , vol.77 , pp. 155311
    • Gavrilenko, V.I.1
  • 16
    • 42749108176 scopus 로고    scopus 로고
    • Sum-frequency vibrational spectroscopy of a helically structured conjugated polymer
    • DOI 10.1103/PhysRevLett.93.267402, 267402
    • M. Oh-e, H. Yokoyama, S. Yorozuya, K. Akagi, M. A. Belkin, and Y. R. Shen, Phys. Rev. Lett. 93, 267402 (2004). 10.1103/PhysRevLett.93.267402 (Pubitemid 40213758)
    • (2004) Physical Review Letters , vol.93 , Issue.26 , pp. 2674021-2674024
    • Oh-E, M.1    Yokoyama, H.2    Yorozuya, S.3    Akagi, K.4    Belkin, M.A.5    Shen, Y.R.6
  • 25
    • 0000430539 scopus 로고
    • 10.1103/PhysRevB.6.4648
    • D. E. Aspnes, Phys. Rev. B 6, 4648 (1972). 10.1103/PhysRevB.6.4648
    • (1972) Phys. Rev. B , vol.6 , pp. 4648
    • Aspnes, D.E.1
  • 26
    • 0001320001 scopus 로고
    • 10.1103/PhysRevB.12.2325
    • C. Y. Fong and Y. R. Shen, Phys. Rev. B 12, 2325 (1975). 10.1103/PhysRevB.12.2325
    • (1975) Phys. Rev. B , vol.12 , pp. 2325
    • Fong, C.Y.1    Shen, Y.R.2
  • 28
    • 25944443581 scopus 로고
    • 10.1103/PhysRevB.42.3567
    • Z. H. Levine, Phys. Rev. B 42, 3567 (1990). 10.1103/PhysRevB.42.3567
    • (1990) Phys. Rev. B , vol.42 , pp. 3567
    • Levine, Z.H.1
  • 29
    • 0000708867 scopus 로고
    • 10.1103/PhysRevB.49.4532
    • Z. H. Levine, Phys. Rev. B 49, 4532 (1994). 10.1103/PhysRevB.49.4532
    • (1994) Phys. Rev. B , vol.49 , pp. 4532
    • Levine, Z.H.1
  • 30
    • 0000279757 scopus 로고
    • 10.1103/PhysRevB.44.12781
    • Z. H. Levine and D. C. Allan, Phys. Rev. B 44, 12781 (1991). 10.1103/PhysRevB.44.12781
    • (1991) Phys. Rev. B , vol.44 , pp. 12781
    • Levine, Z.H.1    Allan, D.C.2
  • 32
    • 33744642089 scopus 로고
    • 10.1103/PhysRevB.48.7783
    • Z. H. Levine and D. C. Allan, Phys. Rev. B 48, 7783 (1993). 10.1103/PhysRevB.48.7783
    • (1993) Phys. Rev. B , vol.48 , pp. 7783
    • Levine, Z.H.1    Allan, D.C.2
  • 34
    • 0000416455 scopus 로고
    • 10.1103/PhysRevB.48.11705
    • J. E. Sipe and E. Ghahramani, Phys. Rev. B 48, 11705 (1993). 10.1103/PhysRevB.48.11705
    • (1993) Phys. Rev. B , vol.48 , pp. 11705
    • Sipe, J.E.1    Ghahramani, E.2
  • 35
    • 0000696381 scopus 로고
    • 10.1103/PhysRevB.52.14636
    • C. Aversa and J. E. Sipe, Phys. Rev. B 52, 14636 (1995). 10.1103/PhysRevB.52.14636
    • (1995) Phys. Rev. B , vol.52 , pp. 14636
    • Aversa, C.1    Sipe, J.E.2
  • 36
  • 37
    • 0001323217 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.53.10751
    • J. L. P. Hughes and J. E. Sipe, Phys. Rev. B 53, 10751 (1996). 10.1103/PhysRevB.53.10751
    • (1996) Phys. Rev. B , vol.53 , pp. 10751
    • Hughes, J.L.P.1    Sipe, J.E.2
  • 38
    • 0001517841 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.58.7761
    • J. L. P. Hughes and J. E. Sipe, Phys. Rev. B 58, 7761 (1998). 10.1103/PhysRevB.58.7761
    • (1998) Phys. Rev. B , vol.58 , pp. 7761
    • Hughes, J.L.P.1    Sipe, J.E.2
  • 41
    • 27744510869 scopus 로고    scopus 로고
    • Second-harmonic optical response from first principles
    • DOI 10.1238/Physica.Topical.109a00128, EXCITiNG Summer School: DFT Beyond the Ground State
    • S. Sharma and C. Ambrosch-Draxl, Phys. Scr., T T109, 128 (2004). 10.1238/Physica.Topical.109a00128 (Pubitemid 351552754)
    • (2004) Physica Scripta T , vol.T109 , pp. 128-134
    • Sharma, S.1    Ambrosch-Draxl, C.2
  • 42
    • 0000106208 scopus 로고
    • 10.1103/PhysRevB.50.5756
    • A. Dal Corso and F. Mauri, Phys. Rev. B 50, 5756 (1994). 10.1103/PhysRevB.50.5756
    • (1994) Phys. Rev. B , vol.50 , pp. 5756
    • Dal Corso, A.1    Mauri, F.2
  • 44
    • 34248348289 scopus 로고    scopus 로고
    • Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
    • DOI 10.1063/1.2733666
    • X. Andrade, S. Botti, M. A. L. Marques, and A. Rubio, J. Chem. Phys. 126, 184106 (2007). 10.1063/1.2733666 (Pubitemid 46743606)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.18 , pp. 184106
    • Andrade, X.1    Botti, S.2    Marques, M.A.L.3    Rubio, A.4
  • 46
    • 0001576888 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.57.6519
    • B. Adolph and F. Bechstedt, Phys. Rev. B 57, 6519 (1998). 10.1103/PhysRevB.57.6519
    • (1998) Phys. Rev. B , vol.57 , pp. 6519
    • Adolph, B.1    Bechstedt, F.2
  • 50
  • 51
    • 33645944934 scopus 로고
    • 10.1103/PhysRevLett.55.2850
    • E. K. U. Gross and W. Kohn, Phys. Rev. Lett. 55, 2850 (1985). 10.1103/PhysRevLett.55.2850
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2850
    • Gross, E.K.U.1    Kohn, W.2
  • 53
    • 0000845640 scopus 로고
    • 10.1103/PhysRevB.29.4631
    • R. Del Sole and E. Fiorino, Phys. Rev. B 29, 4631 (1984). 10.1103/PhysRevB.29.4631
    • (1984) Phys. Rev. B , vol.29 , pp. 4631
    • Del Sole, R.1    Fiorino, E.2
  • 55
    • 78650876884 scopus 로고    scopus 로고
    • 0 (q,ω ).
    • 0 (q, ω).
  • 57
    • 24144452523 scopus 로고    scopus 로고
    • Time-dependent density functional theory: Past, present, and future
    • DOI 10.1063/1.1904586, 062206
    • K. Burke, J. Werschnik, and E. K. U. Gross, J. Chem. Phys. 123, 062206 (2005). 10.1063/1.1904586 (Pubitemid 41231964)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.6 , pp. 1-9
    • Burke, K.1    Werschnik, J.2    Gross, E.K.U.3
  • 58
    • 0000172830 scopus 로고
    • 10.1103/PhysRevA.35.442
    • A. K. Dhara and S. K. Ghosh, Phys. Rev. A 35, 442 (1987). 10.1103/PhysRevA.35.442
    • (1987) Phys. Rev. A , vol.35 , pp. 442
    • Dhara, A.K.1    Ghosh, S.K.2
  • 59
    • 0001030724 scopus 로고
    • 10.1103/PhysRevA.38.1149
    • S. K. Ghosh and A. K. Dhara, Phys. Rev. A 38, 1149 (1988). 10.1103/PhysRevA.38.1149
    • (1988) Phys. Rev. A , vol.38 , pp. 1149
    • Ghosh, S.K.1    Dhara, A.K.2
  • 60
    • 42749105766 scopus 로고    scopus 로고
    • Mapping from current densities to vector potentials in time-dependent current density functional theory
    • DOI 10.1103/PhysRevB.70.201102, 201102
    • G. Vignale, Phys. Rev. B 70, 201102 (R) (2004). 10.1103/PhysRevB.70. 201102 (Pubitemid 40153488)
    • (2004) Physical Review B - Condensed Matter and Materials Physics , vol.70 , Issue.20 , pp. 2011021-2011024
    • Vignale, G.1
  • 62
    • 78650918475 scopus 로고    scopus 로고
    • For zinc-blende cubic symmetry χ xyz (2) = χ zxy (2) = χ yzx (2) = χ xzy (2) = χ zyx (2) = χ yxz (2).
    • For zinc-blende cubic symmetry χ x y z (2) = χ z x y (2) = χ y z x (2) = χ x z y (2) = χ z y x (2) = χ y x z (2).
  • 64
    • 78650892439 scopus 로고    scopus 로고
    • α∼ 0,0 (1) is a 3×3 matrix and in the text we write it in a compact form: α∼ 0,0 (1) ,LL is a scalar, α∼ 0,0 (1) ,LT and α∼ 0,0 (1) ,TL are two-dimensional vectors and α∼ 0,0 (1) ,TT is a 2×2 matrix.
    • α ∼ 0, 0 (1) is a 3 × 3 matrix and in the text we write it in a compact form: α ∼ 0, 0 (1), L L is a scalar, α ∼ 0, 0 (1), L T and α ∼ 0, 0 (1), T L are two-dimensional vectors and α ∼ 0, 0 (1), T T is a 2 × 2 matrix.
  • 66
    • 78650891338 scopus 로고    scopus 로고
    • Ph.D. thesis Ecole Polytechnique Palaiseau
    • H. Hübener, Ph.D. thesis, Ecole Polytechnique Palaiseau, 2010.
    • (2010)
    • Hübener, H.1
  • 69
    • 36149016819 scopus 로고
    • 10.1103/PhysRev.139.A796
    • L. Hedin, Phys. Rev. 139, A796 (1965). 10.1103/PhysRev.139.A796
    • (1965) Phys. Rev. , vol.139 , pp. 796
    • Hedin, L.1
  • 70
    • 33751314446 scopus 로고
    • 10.1103/PhysRevB.43.4187
    • Z. H. Levine and D. C. Allan, Phys. Rev. B 43, 4187 (1991). 10.1103/PhysRevB.43.4187
    • (1991) Phys. Rev. B , vol.43 , pp. 4187
    • Levine, Z.H.1    Allan, D.C.2
  • 71
    • 0001724188 scopus 로고
    • 10.1103/PhysRevB.48.11789
    • R. Del Sole and R. Girlanda, Phys. Rev. B 48, 11789 (1993). 10.1103/PhysRevB.48.11789
    • (1993) Phys. Rev. B , vol.48 , pp. 11789
    • Del Sole, R.1    Girlanda, R.2
  • 76
    • 78650857077 scopus 로고    scopus 로고
    • The ABINIT code is a common project of the Universit Catholique de Louvain, Corning Incorporated, and other contributors
    • The ABINIT code is a common project of the Universit Catholique de Louvain, Corning Incorporated, and other contributors (http://www.abinit.org).
  • 78
    • 78650860496 scopus 로고    scopus 로고
    • unpublished
    • V. Olevano, unpublished, http://www.dp-code.org.
    • Olevano, V.1
  • 82
    • 16644372869 scopus 로고
    • 10.1103/PhysRevB.47.9464
    • M.-Z. Huang and W. Y. Ching, Phys. Rev. B 47, 9464 (1993). 10.1103/PhysRevB.47.9464
    • (1993) Phys. Rev. B , vol.47 , pp. 9464
    • Huang, M.-Z.1    Ching, W.Y.2
  • 86
    • 33947286672 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.75.115116
    • X. Wang and D. Vanderbilt, Phys. Rev. B 75, 115116 (2007). 10.1103/PhysRevB.75.115116
    • (2007) Phys. Rev. B , vol.75 , pp. 115116
    • Wang, X.1    Vanderbilt, D.2
  • 87
    • 0036687840 scopus 로고    scopus 로고
    • Second-order nonlinear susceptibilities of various dielectric and semiconductor materials
    • DOI 10.1023/A:1016545417478
    • I. Shoji, T. Kondo, and R. Ito, Opt. Quantum Electron. 34, 797 (2002). 10.1023/A:1016545417478 (Pubitemid 34959715)
    • (2002) Optical and Quantum Electronics , vol.34 , Issue.8 , pp. 797-833
    • Shoji, I.1    Kondo, T.2    Ito, R.3
  • 89
    • 0026941870 scopus 로고
    • Simplified characterization of uniaxial and biaxial nonlinear optical crystals: A plea for standardization of nomenclature and conventions
    • DOI 10.1109/3.159516
    • D. A. Roberts, IEEE J. Quantum Electron. 28, 2057 (1992). 10.1109/3.159516 (Pubitemid 23574129)
    • (1992) IEEE Journal of Quantum Electronics , vol.28 , Issue.10 , pp. 2057-2074
    • Roberts David, A.1
  • 91
    • 0001169488 scopus 로고
    • 10.1103/PhysRevA.21.1561
    • A. Zangwill and P. Soven, Phys. Rev. A 21, 1561 (1980). 10.1103/PhysRevA.21.1561
    • (1980) Phys. Rev. A , vol.21 , pp. 1561
    • Zangwill, A.1    Soven, P.2
  • 97
    • 0037462959 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.90.036801
    • S. Bergfeld and W. Daum, Phys. Rev. Lett. 90, 036801 (2003). 10.1103/PhysRevLett.90.036801
    • (2003) Phys. Rev. Lett. , vol.90 , pp. 036801
    • Bergfeld, S.1    Daum, W.2
  • 98
  • 102
    • 0037179345 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.89.096402
    • Y.-H. Kim and A. Görling, Phys. Rev. Lett. 89, 096402 (2002). 10.1103/PhysRevLett.89.096402
    • (2002) Phys. Rev. Lett. , vol.89 , pp. 096402
    • Kim, Y.-H.1    Görling, A.2


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