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Density functional theory study of Ni/Ni3Al interface alloying with Re and Ru

✍ Scribed by Cong Wang; Chong-Yu Wang


Book ID
108280667
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
520 KB
Volume
602
Category
Article
ISSN
0039-6028

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Density Functional Theory Studies of the
✍ Yi-Quan Zhang; Cheng-Lin Luo πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 371 KB

## Abstract A theoretical density functional study of the magnetostructural correlations in a series of cyano‐bridged MoNi systems is presented. Our calculations by two approaches with several local density approximations (LDAs) and generalized gradient approximations (GGAs) show that: (1) the infl