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Tuning the electronic and vibrational properties of Sn2P2S6: Pressure induced metallization and superconductivity

The influence of external pressure on the properties of Sn2P2S6 has been systematically studied using density-functional theory calculations. It has been found that the ambient-pressure polymorph (space group P21/c) is most stable up to 100 GPa than the other two polymorphs reported in the literatur...

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Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: E. Karaca, D. Errandonea
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Elsevier 2024-02-01
Saila:Results in Physics
Gaiak:
Sarrera elektronikoa:http://www.sciencedirect.com/science/article/pii/S2211379724000123
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