Experimental and Theoretical Studies on α‑In2Se3 at High Pressure

α­(R)-In2Se3 has been experimentally and theoretically studied under compression at room temperature by means of X-ray diffraction and Raman scattering measurements as well as by ab initio total-energy and lattice-dynamics calculations. Our study has confirmed the α (R3m) → β′ (C2/m) → β (R3̅m) sequ...

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Veröffentlicht in:Inorganic chemistry 2018-07, Vol.57 (14), p.8241-8252
Hauptverfasser: Vilaplana, Rosario, Parra, Samuel Gallego, Jorge-Montero, Alejandro, Rodríguez-Hernández, Plácida, Munoz, Alfonso, Errandonea, Daniel, Segura, Alfredo, Manjón, Francisco Javier
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Sprache:eng
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