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Volumn 44, Issue 3, 1991, Pages 1419-1422

Structure of Si(100)H: Dependence on the H chemical potential

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Indexed keywords


EID: 35949008358     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.44.1419     Document Type: Article
Times cited : (312)

References (16)
  • 6
    • 84927352315 scopus 로고    scopus 로고
    • The zero-point energy is 0.84 eV for SiH4 and 0.27 eV for molecular H2. Zero-point energy therefore contributes approximately 0.30 eV to the formation energy of SiH4 with respect to bulk Si and H2 molecules. With this correction the calculated formation energy of SiH4 is 0.38 eV, and is in good agreement with the measured value (0.45 eV).
  • 12
    • 84927352314 scopus 로고    scopus 로고
    • Increasing the plane-wave cutoff in the calculation from 12 to 18 Ry changed this energy difference by only 0.005 eV/ (1 times 1).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.