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Pressure Effect of the Vibrational and Thermodynamic Properties of Chalcopyrite-Type Compound AgGaS(2): A First-Principles Investigation
To explore the structural, vibrational, and thermodynamic properties of the chalcopyrite-type compound AgGaS(2) under pressure, we applied hydrostatic pressure to the relaxed compound based on the first principles calculation and quasi-harmonic approximation. The structural parameters, including lat...
Gespeichert in:
| Veröffentlicht in: | Materials (Basel) |
|---|---|
| Hauptverfasser: | , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
MDPI
2018
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6316902/ https://ncbi.nlm.nih.gov/pubmed/30486236 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma11122370 |
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