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Advances in First-Principles Studies of Transducer Materials

โœ Scribed by Asthagiri, A.; Wu, Z.; Choudhury, N.; Cohen, R. E.


Book ID
127329489
Publisher
Taylor and Francis Group
Year
2006
Tongue
English
Weight
169 KB
Volume
333
Category
Article
ISSN
0015-0193

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First-principle study of materials invol
โœ Caracas, Razvan; Gonze, Xavier ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› Oldenbourg Wissenschaftsverlag ๐ŸŒ English โš– 262 KB

## Abstract We discuss the applicability of the density functional theory to the study of incommensurate crystals. After a brief introduction to these aperiodic but ordered materials we present several types of __ab initio__ methodologies that are adequate in the context of incommensurate transitio