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Volumn 4, Issue , 2006, Pages 124-128

Ab initio energetics of phosphorus impurity in subsurface regions of hydrogenated diamond surfaces

Author keywords

Density functional calculations; Diamond; Phosphorus; Surface energy

Indexed keywords

DIAMONDS; DOPING (ADDITIVES); IMPURITIES; INTERFACIAL ENERGY; SEGREGATION (METALLOGRAPHY); SURFACE STRUCTURE;

EID: 31344457999     PISSN: 13480391     EISSN: 13480391     Source Type: Journal    
DOI: 10.1380/ejssnt.2006.124     Document Type: Article
Times cited : (5)

References (17)
  • 9
    • 31344434235 scopus 로고    scopus 로고
    • note
    • 0 is a theoretically estimated cubic lattice constant of a diamond crystal, 3.571Å. N and M (M′) specify the periodicities in the surface-parallel and surface-normal directions of the C(001) [C(111)] supercells (N=4, M=28 and M′=30), respectively.
  • 13
    • 31344433197 scopus 로고    scopus 로고
    • note
    • Although the formation energy depends on the chemical potentials of C, P and H, the difference in the formation energies as defined in the text does not, since the chemical-potential terms are cancelled out when taking the difference between the formation energies for P in different positions.
  • 15
    • 31344475528 scopus 로고    scopus 로고
    • note
    • 4).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.