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Theoretical study on pressure-induced phase transition and thermal properties of HgAl2Se4

✍ Scribed by Udai Pratap Verma; Poonam Singh; Per Jensen

Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
851 KB
Volume
248
Category
Article
ISSN
0370-1972

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## a b s t r a c t In this paper, both the local density approximation (LDA) and the generalized gradient approximation (GGA) are used to investigate the structural and electronic properties of the b modification of CdP 2 (b-CdP 2 ) at zero pressure. In addition, the energy band structure, electro