𝔖 Bobbio Scriptorium
✦   LIBER   ✦

First-principles calculations of structural properties of compound

✍ Scribed by William López Pérez; Jairo Arbey Rodríguez M; María G. Moreno-Armenta


Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
311 KB
Volume
398
Category
Article
ISSN
0921-4526

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Structural and elastic properties of AlB
✍ Ke Liu; Xiao-Lin Zhou; Xiang-Rong Chen; Wen-Jun Zhu 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 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

First principles calculations of structu
✍ S. Labidi; H. Meradji; M. Labidi; S. Ghemid; S. Drablia; F. El Haj Hassan 📂 Article 📅 2009 🏛 Elsevier 🌐 English ⚖ 320 KB

The ab initio full potential linearized augmented plane wave (FP-LAPW) method within density functional theory was applied to study the structural and electronic properties of the compounds SrS, SrSe, SrTe and their alloy SrS 1-x Se x in the NaCl structure. Results are obtained using both the local

First-Principles Calculations of the Str
✍ Ma. Guadalupe Moreno-Armenta; William Lopez Perez; Noboru Takeuchi 📂 Article 📅 2007 🏛 John Wiley and Sons ⚖ 11 KB 👁 2 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.