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First-principles predictions of the structural, electronic, optical and elastic properties of the zintl-phases AE3GaAs3 (AE = Sr, Ba)

We report results of a detailed first-principles study of physical parameters associated with the structural, electronic, optical and elastic properties of the ternary gallium-arsenides Sr3GaAs3 and Ba3GaAs3. Calculated equilibrium structural parameters are in excellent agreement with the available...

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Bibliographic Details
Main Authors: Khireddine, A., Bouhemadou, A., Alnujaim, S., Guechi, N., Bin-Omran, S., Al-Douri, Y., Khenata, R., Maabed, S., Kushwaha, A. K.
Format: Article
Published: Elsevier 2015
Subjects:
QC Physics
QD Chemistry
TN Mining engineering. Metallurgy
Online Access:http://eprints.um.edu.my/34201/
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