Ab initio study of point defects in off-stoichiometric NiAl
1999 (English)In: METALLOFIZIKA I NOVEISHIE TEKHNOLOGII, ISSN 0204-3580, Vol. 21, no 11, 49-54 p.Article in journal (Refereed) Published
The formation energies of native point defects and the interaction energies of various defect pairs in NiAl are calculated from first principles within on order-hr, locally self-consistent Green's function method The constitutional defects (antisite Ni at
Place, publisher, year, edition, pages
NATL ACAD SCIENCES UKRAINE, INST METAL PHYSICS , 1999. Vol. 21, no 11, 49-54 p.
subfraction alloys; point defects; interaction between defects; MECHANICAL-PROPERTIES; PHASE; ALLOYS
IdentifiersURN: urn:nbn:se:uu:diva-37012OAI: oai:DiVA.org:uu-37012DiVA: diva2:64911
Addresses: Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden. Moscow Steel & Alloys Inst, Dept Theoret Phys, Moscow 117936, Russia. Tech Univ Denmark, Ctr Atom Scale Mat Phys, DK-2800 Lyngby, Denmark.2008-10-172008-10-172011-01-14