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Mechanical properties and electronic structure of anti-ReO3 structured cubic nitrides, M3N, of d block transition metals M: An ab initio study

✍ Scribed by Zhou, Xiuquan; Gall, Daniel; Khare, Sanjay V.


Book ID
121695614
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
857 KB
Volume
595
Category
Article
ISSN
0925-8388

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## Abstract __Ab initio__ calculations of structural stability and properties of selected IIIa–Va monomers (BN, BP, AlN, AlP), and dimers and trimers thereof are presented. It was demonstrated that multireference methods are needed for an appropriate description of the electronic structure of the d