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Theoretical investigation of the electronic and optical properties of Zn2OX (X = S, Se, Te) in chalcopyrite phase by full potential methods

โœ Scribed by S. Ramasubramanian; R. Thangavel; M. Rajagopalan; J. Kumar


Book ID
116604647
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
843 KB
Volume
479
Category
Article
ISSN
0925-8388

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The electronic and optical properties of BaM x O 1ร€x (M = S, Se, Te) have been studied by using the density functional theory implemented with the GGA-PW91 method. The calculated results show that the lattice constant of BaM x O 1ร€x obeys the Vegard model while the energy gap of BaM x O 1ร€x shows a