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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| Main Authors: | , , , , , , , , |
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| 格式: | Article |
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Elsevier
2015
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| 在线阅读: | http://eprints.um.edu.my/34201/ |
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