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Ab initio investigation of the melting line of nitrogen at high pressure

✍ Scribed by Donadio, Davide; Spanu, Leonardo; Duchemin, Ivan; Gygi, Francois; Galli, Giulia

Book ID: 120160949
Publisher: The American Physical Society
Year: 2010
Tongue: English
Weight: 152 KB
Volume: 82
Category: Article
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.82.020102

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## Abstract In this work, we present a theoretical study (based on DFT-calculations) in a wide pressure range of the structural and electronic properties and the stability of compounds crystallising in a TlI- or CrB-type structure. Both structure types have the characteristic structural feature of