메뉴 건너뛰기




Volumn 67, Issue 12, 2003, Pages 10-

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


EID: 84870406709     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.125111     Document Type: Article
Times cited : (25)

References (55)
  • 1
    • 85038915305 scopus 로고    scopus 로고
    • A. F. Wells, 4th ed. (Oxford University Press, Oxford, 1974)
    • A. F. Wells, Structural Inorganic Chemistry, 4th ed. (Oxford University Press, Oxford, 1974).
  • 2
    • 85038907965 scopus 로고    scopus 로고
    • B. G. Hyde and S. Andersson, (Wiley, New York, 1989)
    • B. G. Hyde and S. Andersson, Inorganic Crystal Structures (Wiley, New York, 1989).
  • 6
    • 85038915463 scopus 로고    scopus 로고
    • I. B. Bersuker, (Plenum, New York, 1984)
    • I. B. Bersuker, The Jahn-Teller Effect and Vibronic Interactions in Modern Chemistry (Plenum, New York, 1984).
  • 26
    • 85038925716 scopus 로고    scopus 로고
    • H. L. Skriver, (Springer, Berlin, 1984)
    • H. L. Skriver, The LMTO Method (Springer, Berlin, 1984).
  • 29
    • 0000146537 scopus 로고    scopus 로고
    • 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
  • 40
    • 85038959603 scopus 로고    scopus 로고
    • M. C. Payne, X. Weng, B. Hammer, G. Francis, I. Stich, U. Bertram, A. de Vita, J. S. Lin, A. Qteish, and V. Milman, computer code, Cavendish Laboratory, University of Cambridge. The code has been significantly modified and optimized by U. V. Waghmare, K. M. Rabe, and N. A. Hill
    • M. C. Payne, X. Weng, B. Hammer, G. Francis, I. Stich, U. Bertram, A. de Vita, J. S. Lin, A. Qteish, and V. Milman, computer code CASTEP, Cavendish Laboratory, University of Cambridge. The code has been significantly modified and optimized by U. V. Waghmare, K. M. Rabe, and N. A. Hill.
  • 41
    • 85038937758 scopus 로고    scopus 로고
    • U. V. Waghmare, V. Milman, and K. M. Rabe (unpublished)
    • U. V. Waghmare, V. Milman, and K. M. Rabe (unpublished).
  • 46
    • 85038904021 scopus 로고    scopus 로고
    • X. Gonze (private communication). Gonze’s group is also using this method to calculate electron localization lengths
    • X. Gonze (private communication). Gonze’s group is also using this method to calculate electron localization lengths.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.