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FIELD Phys:Condensed Matter Physics
DATE July 31 (Fri), 2020
TIME 14:00-16:00
PLACE 1424
SPEAKER Heung-Sik Kim
HOST Hwang, Kyusung
INSTITUTE 강원대학교 물리학과 (춘천)
TITLE Pressure-Induced Mott Insulator-Metal Transitions in Layered Chalcogenides
ABSTRACT

Layered transition metal trichalcogenides, MP{S,Se}3 (M=Mn,Fe,Co,Ni), has been actively studied recently because of possible two-dimensional magnetism and potential applications for resistivity switching devices. Compared to layered oxide compounds, stronger hybridization between transition metal d-orbital and chalcogen p-orbitals in these layered chalcogenides can yield bigger response of electronic and magnetic properties with respect to external stimuli such as pressure. Here we present our recent computational study of MP{S,Se}3 with M = Mn and Ni under external pressure, employing ab-initio dynamical mean-field theory (DMFT) combined with density functional theory (DFT). It is shown that {Mn,Ni}P{S,Se}3 do show steeper gap closure rate, ~ 50 meV / GPa, compared to conventional correlated oxides. Nature of pressure-driven insulator-metal transitions, which depends on the orbital occupations and structural distortions, is discussed in combinations with experimental observations.

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