First-principles calculations for vacancy formation energies in Cu and Al; non-local effect beyond the LSDA and lattice distortion

Computational Materials Science

Volumn 14, Issue 1-4, 1999, Pages 56-61

  Hoshino, T ^a   Papanikolaou, N ^b   Zeller, R ^b   Dederichs, P H ^b   Asato, M ^a   Asada, T ^a   Stefanou, N ^c  

^a SHIZUOKA UNIVERSITY   (Japan)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

^c UNIVERSITY OF ATHENS   (Greece)

Author keywords

Al; Cu; GGA; KKR Green's function method; Lattice distortion; LSDA; Vacancy formation energy

Indexed keywords

EID: 0002292577     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0927-0256(98)00072-x     Document Type: Article

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