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The lattice dynamics of α- and γ-Ce: a first-principles approach

✍ Scribed by Huang, Li; Chen, Chang-An


Book ID
127372631
Publisher
Institute of Physics
Year
2007
Tongue
English
Weight
538 KB
Volume
19
Category
Article
ISSN
0953-8984

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First principles lattice dynamical study
✍ Prafulla K. Jha; Sanjeev K. Gupta 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 951 KB

An ab initio pseudopotential plane wave method using linear response approach has been employed to study the lattice dynamics of two cubic antiperovskites AsNBa 3 and SbNBa 3 . The bulk properties, elastic constants, phonon dispersion curves, phonon density of states and temperature dependent thermo