메뉴 건너뛰기




Volumn 86, Issue 20, 2001, Pages 4556-4559

Thermodynamics of C incorporation on Si(100) from ab initio calculations

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS SILICON; DIMERS; HAMILTONIANS; MONTE CARLO METHODS; PHASE DIAGRAMS; PHASE EQUILIBRIA; STRAIN RATE; STRESS ANALYSIS;

EID: 0035858417     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.86.4556     Document Type: Article
Times cited : (36)

References (22)
  • 5
    • 0001016408 scopus 로고
    • K. Eberl, S. S. Iyer, J. C. Tsang, M. S. Goorsky, and F. K. Legoues, J. Vac. Sci. Technol. B 10, 934 (1992); H. J. Osten, E. Bugiel, and P. Zaumseil, Appl. Phys. Lett. 64, 3440 (1994).
    • (1994) Appl. Phys. Lett. , vol.64 , pp. 3440
    • Osten, H.J.1    Bugiel, E.2    Zaumseil, P.3
  • 13
    • 0000638378 scopus 로고    scopus 로고
    • P. C. Kelires and E. Kaxiras, Phys. Rev. Lett. 78, 3479 (1997); J. Vac. Sci. Technol. B 16, 1687 (1998).
    • (1998) J. Vac. Sci. Technol. B , vol.16 , pp. 1687
  • 18
    • 0342766298 scopus 로고    scopus 로고
    • note
    • Charged states are often important for isolated point defects. We do not expect such states to be favorable for periodic configurations.
  • 19
    • 0342331415 scopus 로고    scopus 로고
    • note
    • We use a periodic slab of seven layers terminated by H on one side with six layers allowed to relax, a plane wave basis with a cutoff kinetic energy of 36 Ry, and the Γ point of the Brillouin zone for reciprocal space sampling. Atomic positions are relaxed until the magnitude of the calculated Hellman-Feynman forces is smaller than 0.001 Ry/a.u. Different starting geometries were considered for each configuration to ensure that the correct minimum energy structure is found.
  • 20
    • 0343200898 scopus 로고    scopus 로고
    • note
    • The energy of a C atom is obtained from the calculated bulk energy using the experimental cohesive energy of diamond, 7.37 eV/atom.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.