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Volumn 47, Issue 20, 1993, Pages 13353-13362

Electronic and structural properties of GaN by the full-potential linear muffin-tin orbitals method: The role of the d electrons

Author keywords

[No Author keywords available]

Indexed keywords


EID: 33746848860     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.47.13353     Document Type: Article
Times cited : (177)

References (44)
  • 1
    • 84926914584 scopus 로고    scopus 로고
    • Permanent address: Dipartimento di Scienze Fisiche, Università di Cagliari, via Ospedale 72, I 09100 Cagliari, Italy.
  • 2
    • 84926877113 scopus 로고    scopus 로고
    • Present address: Institut für Halbleiterphysik, Walter Korsing Strasse 2, O 1200 Frankfurt/Oder, Germany.
  • 5
    • 84926914580 scopus 로고    scopus 로고
    • R. C. Powell et al., in Diamond, Boron Nitride, Silicon Carbide and Related Wide Bandgap Semiconductors, edited byJ. T. Glass, R. F. Messier, and N. Fujimori, MRS Symposia Proceedings No. 162 (Material Research Society, Pittsburgh, PA, 1990), p. 525;
  • 23
    • 84926877109 scopus 로고    scopus 로고
    • and references therein.
  • 24
    • 84926933391 scopus 로고    scopus 로고
    • The feasibility of FP LMTO calculations in strained and complicated geometries for semiconductors has been previously demonstrated, Ref. 11
  • 25
    • 84926933390 scopus 로고    scopus 로고
    • Typical calculated total energy differences between wurtzite and zinc blende are fractions of mRy per atom, and are quite sensitive to technicalities as k point summation [for example, a too coarse k point mesh tends to spuriously stabilize (Ref. 16) the zinc blende structure].
  • 36
    • 84926933389 scopus 로고    scopus 로고
    • (unpublished). The NLCC pseudopotentials were generated by A. Dal Corso and P. Giannozzi.
    • Peressi, M.1
  • 41
    • 84926933388 scopus 로고    scopus 로고
    • Of course an accurate estimate of the LDA gap is essential to the calculation of quasiparticle energies.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.