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Structural, electronic, elastic, thermodynamic and vibration properties of TbN compound from first principles calculations

โœ Scribed by Y.O. Ciftci; M. Ozayman; G. Surucu; K. Colakoglu; E. Deligoz


Book ID
113914365
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
715 KB
Volume
14
Category
Article
ISSN
1293-2558

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Structural and elastic properties of AlB
โœ Ke Liu; Xiao-Lin Zhou; Xiang-Rong Chen; Wen-Jun Zhu ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 265 KB

The equilibrium lattice constants, five independent elastic constants and Debye temperature of HCP structure AlB 2 are investigated by using a first-principles plane wave method with the relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter scheme in the frame of density function