Study on structural, mechanical, electronic, vibrational, optical and thermo-dynamical behaviour of ZB Structured BeZ (Z=S, Se and Te) using ATK-DFT
The present research is a systematic computational study focused on structural, mechanical, electronic, vibrational, optical and thermo-dynamical properties of zinc-blende (B3) structured beryllium chalcogenides BeZ (Z=S, Se, Te) compounds using ATK-DFT method using PZ and PBEsol exchange and correl...
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| Format: | Article |
| Language: | English |
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Association of Metallurgical Engineers of Serbia
2020-09-01
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| Series: | Metallurgical & Materials Engineering |
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| Online Access: | https://metall-mater-eng.com/index.php/home/article/view/475 |