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Volumn 81, Issue 22, 2010, Pages

Native and hydrogen-containing point defects in Mg3 N 2: A density functional theory study

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Indexed keywords


EID: 77956323892     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.224109     Document Type: Article
Times cited : (29)

References (33)
  • 18
    • 0042327872 scopus 로고    scopus 로고
    • 10.1016/S0921-4526(03)00387-9
    • A. Mokhtari and H. Akbarzadeh, Physica B 337, 122 (2003). 10.1016/S0921-4526(03)00387-9
    • (2003) Physica B , vol.337 , pp. 122
    • Mokhtari, A.1    Akbarzadeh, H.2
  • 21
    • 77956314207 scopus 로고    scopus 로고
    • For our pseudopotentials we used as cut-off radii ( rs cut , rp cut , rd cut , rf cut ) in atomic units: N2 s2 p3 d0 (1.5,1.5,1.5) Troullier-Martin type, Mg3 s3 p0 3 d0 (1.2,1.6,1.5) Haman type, and H1 s1 2 p0 3 d0 4 f0 (1.276,1.276,0.350,1.276) Troullier-Martin type.
    • For our pseudopotentials we used as cut-off radii (r s cut, r p cut, r d cut, r f cut) in atomic units: N 2 s 2 p 3 d 0 (1.5,1.5,1.5) Troullier-Martin type, Mg 3 s 3 p 0 3 d 0 (1.2,1.6,1.5) Haman type, and H 1 s 1 2 p 0 3 d 0 4 f 0 (1.276,1.276,0.350,1.276) Troullier-Martin type.
  • 23
  • 28
    • 77956321271 scopus 로고    scopus 로고
    • /3, as observed in Fig. .
    • / 3, as observed in Fig..


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.