Structural, elastic, electronic, optical and thermal properties of YMAu (M = Si or Ge or Sn) Half-Heusler compounds; A DFT study
The structural, elastic, electronic, optical and thermal properties of the half-Heusler alloys; YSiAu, YGeAu and YSnAu were investigated using the density functional theory. For the YSiAu, YGeAu and YSnAu HH alloys, equilibrium lattice constants of 6.462 Å, 6.540 Å, and 6.739 Å were determined; thes...
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| Format: | Article |
| Language: | English |
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Elsevier
2023-09-01
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| Series: | Results in Materials |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590048X23000511 |