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Volumn 67, Issue 12, 2003, Pages 1251111-12511110

First-principles indicators of metallicity and cation off-centricity in the IV-VI rocksalt chalcogenides of divalent Ge, Sn, and Pb

Author keywords

[No Author keywords available]

Indexed keywords

CHALCOGEN; GERMANIUM; LEAD; METAL DERIVATIVE; TIN;

EID: 0037882097     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (307)

References (56)
  • 7
    • 0000337506 scopus 로고    scopus 로고
    • G. W. Watson and S. C. Parker, J. Phys. Chem. B 103, 1258 (1999); G. W. Watson, S. C. Parker, and G. Kresse, Phys. Rev. B 59, 8481 (1999).
    • (1999) J. Phys. Chem. B , vol.103 , pp. 1258
    • Watson, G.W.1    Parker, S.C.2
  • 9
    • 0001757544 scopus 로고    scopus 로고
    • I. Lefebvre, M. A. Szymanski, J. O. Fourcade, and J. C. Jumas, Phys. Rev. B 58, 1896 (1998); I. Lefebvre, M. Lannoo, G. Allan, A. Ibanez, J. Fourcade, J. C. Jumas, and E. Beaurepaire, Phys. Rev. Lett. 59, 2471 (1987).
    • (1998) Phys. Rev. B , vol.58 , pp. 1896
    • Lefebvre, I.1    Szymanski, M.A.2    Fourcade, J.O.3    Jumas, J.C.4
  • 11
    • 0032755058 scopus 로고    scopus 로고
    • R. Seshadri, G. Baldinozzi, C. Felser, and W. Tremel, J. Mater. Chem. 9, 2463 (1999); J.-M. Raulot, G. Baldinozzi, R. Seshadri, and P. Cortona, Solid State Sci. 4, 467 (2002); R. Seshadri, Proc.-Indian Acad. Sci., Chem. Sci. 113, 487 (2001).
    • (1999) J. Mater. Chem. , vol.9 , pp. 2463
    • Seshadri, R.1    Baldinozzi, G.2    Felser, C.3    Tremel, W.4
  • 12
    • 0036221953 scopus 로고    scopus 로고
    • R. Seshadri, G. Baldinozzi, C. Felser, and W. Tremel, J. Mater. Chem. 9, 2463 (1999); J.-M. Raulot, G. Baldinozzi, R. Seshadri, and P. Cortona, Solid State Sci. 4, 467 (2002); R. Seshadri, Proc.-Indian Acad. Sci., Chem. Sci. 113, 487 (2001).
    • (2002) Solid State Sci. , vol.4 , pp. 467
    • Raulot, J.-M.1    Baldinozzi, G.2    Seshadri, R.3    Cortona, P.4
  • 13
    • 0035485203 scopus 로고    scopus 로고
    • R. Seshadri, G. Baldinozzi, C. Felser, and W. Tremel, J. Mater. Chem. 9, 2463 (1999); J.-M. Raulot, G. Baldinozzi, R. Seshadri, and P. Cortona, Solid State Sci. 4, 467 (2002); R. Seshadri, Proc.-Indian Acad. Sci., Chem. Sci. 113, 487 (2001).
    • (2001) Proc.-Indian Acad. Sci., Chem. Sci. , vol.113 , pp. 487
    • Seshadri, R.1
  • 16
    • 36849112697 scopus 로고
    • J. Goldak, C. S. Barrett, D. Innes, and W. Youdelis, J. Chem. Phys. 44, 3323 (1966); T. B. Zhukova and A. I. Zaslavskii, Sov. Phys. Crystallogr. 12, 28 (1967); E. P. O'Reilly, J. Robertson, and M. J. Kelly, Solid State Commun. 38, 565 (1981).
    • (1966) J. Chem. Phys. , vol.44 , pp. 3323
    • Goldak, J.1    Barrett, C.S.2    Innes, D.3    Youdelis, W.4
  • 17
    • 36849112697 scopus 로고
    • J. Goldak, C. S. Barrett, D. Innes, and W. Youdelis, J. Chem. Phys. 44, 3323 (1966); T. B. Zhukova and A. I. Zaslavskii, Sov. Phys. Crystallogr. 12, 28 (1967); E. P. O'Reilly, J. Robertson, and M. J. Kelly, Solid State Commun. 38, 565 (1981).
    • (1967) Sov. Phys. Crystallogr. , vol.12 , pp. 28
    • Zhukova, T.B.1    Zaslavskii, A.I.2
  • 18
    • 0019562974 scopus 로고
    • J. Goldak, C. S. Barrett, D. Innes, and W. Youdelis, J. Chem. Phys. 44, 3323 (1966); T. B. Zhukova and A. I. Zaslavskii, Sov. Phys. Crystallogr. 12, 28 (1967); E. P. O'Reilly, J. Robertson, and M. J. Kelly, Solid State Commun. 38, 565 (1981).
    • (1981) Solid State Commun. , vol.38 , pp. 565
    • O'Reilly, E.P.1    Robertson, J.2    Kelly, M.J.3
  • 20
    • 10644250257 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 136, 864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 21
    • 0042113153 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 136, 864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
    • (1965) Phys. Rev. , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 22
    • 23244461569 scopus 로고
    • O. K. Andersen, Phys. Rev. B 12, 3060 (1975); O. Jepsen and O. K. Andersen, Z. Phys. B: Condens. Matter 97, 35 (1995).
    • (1975) Phys. Rev. B , vol.12 , pp. 3060
    • Andersen, O.K.1
  • 28
    • 33645350213 scopus 로고    scopus 로고
    • R. Dronskowski and P. E. Blöchl, J. Phys. Chem. 97, 8617 (1993); F. Boucher and R. Rousseau, Inorg. Chem. 37, 2351 (1998); more information on the use of COHP's can be found at www.cohp.de
    • (1993) Phys. Chem. , vol.97 , pp. 8617
    • Dronskowski, R.1    Blöchl, P.E.2
  • 29
    • 0000146537 scopus 로고    scopus 로고
    • R. Dronskowski and P. E. Blöchl, J. Phys. Chem. 97, 8617 (1993); F. Boucher and R. Rousseau, Inorg. Chem. 37, 2351 (1998); more information on the use of COHP's can be found at www.cohp.de
    • (1998) Inorg. Chem. , vol.37 , pp. 2351
    • Boucher, F.1    Rousseau, R.2
  • 30
    • 33645350213 scopus 로고    scopus 로고
    • R. Dronskowski and P. E. Blöchl, J. Phys. Chem. 97, 8617 (1993); F. Boucher and R. Rousseau, Inorg. Chem. 37, 2351 (1998); more information on the use of COHP's can be found at www.cohp.de
  • 38
    • 33749464811 scopus 로고
    • K. M. Rabe and J. D. Joannopoulos, Phys. Rev. Lett. 1 59, 570 (1987); Phys. Rev. B 36, 6631 (1987).
    • (1987) Phys. Rev. B , vol.36 , pp. 6631
  • 47
    • 33646612883 scopus 로고    scopus 로고
    • private communication
    • X. Gonze (private communication). Gonze's group is also using this method to calculate electron localization lengths.
    • Gonze, X.1


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