메뉴 건너뛰기




Volumn 90, Issue 16, 2003, Pages

Influence of synthesis conditions on the structural and optical properties of passivated silicon nanoclusters

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS SILICON; ATOMS; COMPUTER SIMULATION; CRYSTAL MICROSTRUCTURE; MOLECULAR DYNAMICS; MONTE CARLO METHODS; OPTICAL PROPERTIES; QUANTUM THEORY; SEMICONDUCTING SILICON; SEMICONDUCTOR QUANTUM DOTS; SURFACE STRUCTURE; SYNTHESIS (CHEMICAL);

EID: 0038201991     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (56)

References (20)
  • 15
    • 0038529291 scopus 로고    scopus 로고
    • note
    • Our FPMD and density-functional theory calculations were carried out using a first-principles molecular dynamics code, GP 1.16.0 (F. Gygi, LLNL 1999-2002). A time step of 0.05 fs was used. Clusters were placed in a periodic box with at least 7 Å of vacuum region between periodic replicas. We used norm-conserving nonlocal pseudopotentials of the Hamann type for the silicon atoms, and the Giannozzi type for the hydrogen atoms. The local density approximation was used. The Kohn-Sham orbitals were expanded in plane waves with a kinetic energy cutoff of 35 Ry.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.