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Structural characterization of amorphous YCrO 3 from first principles

✍ Scribed by Lizárraga, Raquel; Ramzan, Muhammad; Araujo, Carlos Moyses; Blomqvist, Andreas; Ahuja, Rajeev; Holmström, Erik

Book ID
121472868
Publisher
EDP Sciences
Year
2012
Tongue
English
Weight
497 KB
Volume
99
Category
Article
ISSN
0295-5075

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## Abstract A series of carbon nitride structures have been generated, by using a classical potential in a Metropolis Monte Carlo liquid quench procedure. The resulting structures are relaxed further using the density functional theory approach. Structures are generated for various mass densities a