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Equation of state of Al for compressed and expanded states from first-principles calculations

✍ Scribed by Vinayak Mishra; Shashank Chaturvedi

Book ID
113850069
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
589 KB
Volume
407
Category
Article
ISSN
0921-4526

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πŸ“œ SIMILAR VOLUMES

First-principles calculations for struct
First-principles calculations for structure and equation of state of MgB2 at high pressure
✍ Xiang-Rong Chen; Hai-Yan Wang; Yan Cheng; Yan-Jun Hao πŸ“‚ Article πŸ“… 2005 πŸ› Elsevier Science 🌐 English βš– 352 KB

We investigate the structure and the equation of state of compound MgB 2 at high pressure using the full-potential linearized muffin-tin orbital scheme within the generalized gradient approximation correction in the frame of density functional theory. Through the quasi-harmonic Debye model, in which