Chemical ordering and pressure-induced isostructural and electronic transitions in MoSSe crystal

Isostructural transitions in layered MX2 compounds are governed by competing van der Waals (vdW) and Coulomb interactions. While an isostructural transition (at P∼ 20 GPa) has been observed before metallization in MoS2 when subjected to pressure, it is surprisingly missing in layered MoSe2 and MoTe2...

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Veröffentlicht in:	Physical review. B 2020-07, Vol.102 (1), p.1, Article 014103
Hauptverfasser:	Bera, Achintya, Singh, Anjali, Sorb, Y. A., Jenjeti, Ramesh Naidu, Muthu, D. V. S., Sampath, S., Narayana, Chandrabhas, Waghmare, U. V., Sood, A. K.
Format:	Artikel
Sprache:	eng
Schlagworte:	Band theory Coefficients Conduction bands Crystal structure Discontinuity Electronic structure Energy gap First principles Interlayers Lattice parameters Lattice vibration Metallizing Molybdenum compounds Molybdenum disulfide Phase transitions Synchrotron radiation Transition pressure
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