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Volumn 34, Issue 4, 1986, Pages 2439-2449

Minimal basis sets in the linear muffin-tin orbital method: Application to the diamond-structure crystals C, Si, and Ge

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EID: 0000544382     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.34.2439     Document Type: Article
Times cited : (534)

References (21)
  • 3
    • 84931510267 scopus 로고    scopus 로고
    • O. K. Andersen, O. Jepsen, and D. Glötzel, in Highlights of Condensed-Matter Theory, edited by F. Bassani, F. Fumi, and M. Tosi (North-Holland, Amsterdam, 1985), p. 59; M. S ̆ob, O. Jepsen, and O. K. Andersen (unpublished).
  • 9
    • 84931510266 scopus 로고    scopus 로고
    • A. R. Mackintosh and O. K. Andersen, in Electrons at the Fermi Surface, edited by M. Springford (Cambridge University Press, London, 1960), p. 149; see also Highlights of Condensed-Matter Theory, Ref. 3.
  • 14
    • 84931510264 scopus 로고
    • As the LDA underestimates the gap and particularly in Ge reduces the gap to zero, we adjusted the gap by adding an external potential of the form V0 (r0 /r) exp (-r0 /r)2 with V0=116 Ry and r0=0.015 a.u. for Ge, and V0=135 Ry and r0=0.31 a.u. on the empty si, procedure was introduced by, Except for the total-energy calculations of Sec. IV^C, all Ge calculations in this paper were performed with the adjusted potential, i.e., with the parameters of Gestar_ in Table I. The LDA parameters for Ge are included in Table I for completeness sake.
    • (1983) Phys. Rev. B , vol.30 , pp. 5353
    • This1    Christensen, N.E.2
  • 15
    • 84931510271 scopus 로고    scopus 로고
    • Landolt Börnstein Numerical Data and Functional Relationships in Science and Technology, New Series, edited by O. Madelung (Springer, Berlin, 1982), Vol. 17a.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.