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Volumn 69, Issue 1, 2008, Pages 168-181

Vibrational and thermodynamic properties of metals from a model embedded-atom potential

Author keywords

A. Metals; C. Semi empirical ab initio method; D. Lattice dynamics and thermodynamic properties

Indexed keywords

DEBYE TEMPERATURE; DISPERSIONS; LATTICE VIBRATIONS; PARAMETER ESTIMATION; PHONONS; SPECIFIC HEAT; THERMAL EXPANSION;

EID: 37249003427     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2007.08.046     Document Type: Article
Times cited : (40)

References (78)
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    • See also A.E. Carlsson, in: H. Ehrenreich, D. Turnbull (Eds.), Beyond Pair Potentials in Solid State Physics, vol. 43, Academic Press, New York, 1990, p. 1.
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    • See also A.P. Sutton, Electronic Structure of Materials, Clarendon Press, Oxford, 2004 (Chapter 9).
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    • 43049117263 scopus 로고
    • The embedded-atom method: a review of theory and applications, Materials Science Reports
    • Daw M.S., Foiles S.M., and Baskes M.I. The embedded-atom method: a review of theory and applications, Materials Science Reports. Rev. J. 9 (1993) 251-310
    • (1993) Rev. J. , vol.9 , pp. 251-310
    • Daw, M.S.1    Foiles, S.M.2    Baskes, M.I.3
  • 42
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    • See, e.g., M. Born, K. Huang, Dynamical Theory of Crystal Lattices, Oxford University Press, Oxford, 1962, p. 142.
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    • 0000031882 scopus 로고    scopus 로고
    • See, for example, S.Y. Savrasov, D.Y. Savrasov, The full potential linear muffin-tin (FP-LMTO) results for Cu and Pd, Phys. Rev. B 54 (1996) 16487.
  • 45
    • 0034905673 scopus 로고    scopus 로고
    • See Y. Mishin, M.J. Mehl, D.A. Papaconstantopoulos, A.F. Voter, J.D. Kress, Phys. Rev. B 63 (2001) 224106.
  • 46
    • 37249066803 scopus 로고    scopus 로고
    • See, for example, S. Narasimhan, S. de Gironcoli, The pseudopotential-based results for Cu, Phys. Rev. B 65 (2002) 064302. The results are somewhat inferior to those based on the FP-LMTO method of Ref. [S.Y. Savrasov, D.Y. Savrasov, The full potential linear muffin-tin (FP-LMTO) results for Cu and Pd, Phys. Rev. B 54 (1996) 16487] or the ab initio tight-binding results of Ref. [Y. Mishin, M.J. Mehl, D.A. Papaconstantopoulos, A.F. Voter, J.D. Kress, Phys. Rev. B 63 (2001) 224106], and also seem to depend on the scheme, LDA (local density approximation) vs. GGA (generalized gradient approximation), used to treat the exchange-correlation potential.
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    • 37249055732 scopus 로고    scopus 로고
    • O.K. Andersen, O. Jepsen, M. Sob (Eds.), in: M. Yossouff (Ed.), Electronic Structure and its Applications, Lecture Notes in Physics, vol. 283, Springer, Berlin, 1987, pp. 1-57
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    • See also 〈http://www.fkf.mpg.de/andersen/〉.
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    • See for example V.L. Moruzzi, J.F. Janak, A.R. Williams, Calculated Electronic Properties of Metals, Pergamon, New York 1978; D.A. Papaconstantopoulos, Handbook of the Band Structure of Elemental Solids, Plenum, New York, 1986.
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    • Y.S. Touloukian, E.H. Buyco, Thermophysical Properties of Matter, The TPRC Data Series, Specific Heat, Metallic Elements and Alloys, vol. 4, Plenum Data Company, New York, 1970.
  • 71
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.