2D transition-metal diselenides: phase segregation, electronic structure, and magnetism

Journal of Physics. Condensed Matter : an Institute of Physics Journal
Priyanka Manchanda, Ralph Skomski

Abstract

Density-functional theory is used to investigate the phase-segregation behavior of two-dimensional transition-metal dichalcogenides, which are of current interest as beyond-graphene materials for optoelectronic and spintronic applications. Our focus is on the behavior of W1-x V x Se2 monolayers, whose end members are semiconducting WSe2 and ferromagnetic VSe2. The energetics favors phase segregation, but the spinodal decomposition temperature is rather low, about 420 K. The addition of V leads to a transition from a nonmagnetic semiconductor to a metallic ferromagnet, with a ferromagnetic moment of about 1.0 μ B per V atom. The transition is caused by a p-type doping mechanism, which shifts the Fermi level into the valence band. The finite-temperature structure and magnetism of the diselenide systems are discussed in terms of Onsager-type critical fluctuations and Bruggeman effective-medium behavior.

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Citations

Dec 17, 2016·Nature Communications·Wen-Yi TongChun-Gang Duan
Aug 3, 2017·Physical Chemistry Chemical Physics : PCCP·Trinh Thi LyJungdae Kim
Nov 9, 2018·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Zicong Marvin WongGuo Qin Xu
Nov 14, 2017·The Journal of Physical Chemistry Letters·Jian Zhou, Puru Jena
Nov 15, 2017·ACS Omega·Pankaj KumarRaghani Pushpa

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