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Volumn 133, Issue 26, 2011, Pages 10070-10073

Electronic packing frustration in complex intermetallic structures: The role of chemical pressure in Ca2Ag7

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PACKING; ATOMIC SIZE EFFECTS; CHEMICAL PHENOMENAS; CHEMICAL PRESSURES; ELECTRON COUNT; EXPLORATORY SYNTHESIS; INTER-ATOMIC DISTANCES; ORBITAL INTERACTION; STERICS;

EID: 79959884924     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja203944a     Document Type: Article
Times cited : (40)

References (42)
  • 1
    • 34250940025 scopus 로고
    • Bloch, F.
    • Bloch, F. Z. Phys. 1928, 52, 555
    • (1928) Z. Phys. , vol.52 , pp. 555
  • 4
  • 5
    • 0000802134 scopus 로고
    • Frank, F. C.; Kasper, J. S.
    • Frank, F. C.; Kasper, J. S. Acta Crystallogr. 1958, 11, 184
    • (1958) Acta Crystallogr. , vol.11 , pp. 184
  • 6
    • 0000802136 scopus 로고
    • Frank, F. C.; Kasper, J. S.
    • Frank, F. C.; Kasper, J. S. Acta Crystallogr. 1959, 12, 483
    • (1959) Acta Crystallogr. , vol.12 , pp. 483
  • 8
    • 79959904298 scopus 로고
    • Simon, A.
    • Simon, A. Angew. Chem. 1983, 95, 94
    • (1983) Angew. Chem. , vol.95 , pp. 94
  • 16
    • 0003689862 scopus 로고
    • Massalski, T. B. O. H.; Subramanian, P. R.; Kacprzak, L., Eds.; ASM International: Materials Park, OH,; p.
    • Baren, M. R. In Binary Alloy Phase Diagrams; Massalski, T. B. O. H.; Subramanian, P. R.; Kacprzak, L., Eds.; ASM International: Materials Park, OH, 1990; p 20.
    • (1990) Binary Alloy Phase Diagrams , pp. 20
    • Baren, M.R.1
  • 17
    • 79959893340 scopus 로고    scopus 로고
    • note
    • 7 structure but with a lower frequency of defect planes.
  • 20
    • 4244050169 scopus 로고
    • The CP concept is most often used when describing how elemental substitutions aimed at varying atomic sizes influence physical properties. For examples of the application of this concept to structural distortions, see
    • The CP concept is most often used when describing how elemental substitutions aimed at varying atomic sizes influence physical properties. For examples of the application of this concept to structural distortions, see: DiMasi, E.; Aronson, M. C.; Mansfield, J. F.; Foran, B.; Lee, S. Phys. Rev. B 1995, 52, 14516
    • (1995) Phys. Rev. B , vol.52 , pp. 14516
    • Dimasi, E.1    Aronson, M.C.2    Mansfield, J.F.3    Foran, B.4    Lee, S.5
  • 24
    • 79959916035 scopus 로고    scopus 로고
    • GGA-DFT calculations were performed with the VASP package using projected augmented wave potentials. See Supporting Information for details.
    • GGA-DFT calculations were performed with the VASP package using projected augmented wave potentials. See Supporting Information for details.
  • 30
    • 79959904608 scopus 로고    scopus 로고
    • For examples of quantitatively refining extended Hückel parameters against higher-level calculations, see:;;;, in press.
    • For examples of quantitatively refining extended Hückel parameters against higher-level calcula ions, see: Berger, R. F.; Walters, P. L.; Lee, S.; Hoffmann, R. Chem. Rev. 2011, in press.
    • (2011) Chem. Rev.
    • Berger, R.F.1    Walters, P.L.2    Lee, S.3    Hoffmann, R.4
  • 31
    • 0001436270 scopus 로고    scopus 로고
    • Cerdaé, J.; Soria, F.
    • Cerdaé, J.; Soria, F. Phys. Rev. B 2000, 61, 7965
    • (2000) Phys. Rev. B , vol.61 , pp. 7965
  • 37
    • 0035907945 scopus 로고    scopus 로고
    • 2-Hückel method are described in the following
    • 2-Hückel method are described in the following: Todorov, E.; Evans, M.; Lee, S.; Rousseau, R. Chem. Eur. J. 2001, 7, 2652
    • (2001) Chem. Eur. J. , vol.7 , pp. 2652
    • Todorov, E.1    Evans, M.2    Lee, S.3    Rousseau, R.4
  • 38
    • 79959884909 scopus 로고    scopus 로고
    • For maximal consistency in the comparison of hypothetical and observed crystal structures, all interatomic distances refer to structures optimized with GGA-DFT (see the Supporting Information).
    • For maximal consistency in the comparison of hypothetical and observed crystal structures, all interatomic distances refer to structures optimized with GGA-DFT (see the Supporting Information).
  • 39
    • 84981753121 scopus 로고
    • Kleber, W.
    • Kleber, W. Kris. Technik 1967, 2, 13
    • (1967) Kris. Technik , vol.2 , pp. 13


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.