Valley-filling Instability and Critical Magnetic Field for Interaction-Enhanced Zeeman Response in Doped WSe2 Monolayers

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Abstract

Carrier-doped transition metal dichalcogenide (TMD) monolayers are of great interest in valleytronics due to the large Zeeman response (g-factors) in these spin-valley-locked materials, arising from many-body interactions. We develop an ab initio approach based on many-body perturbation theory to compute the interaction-enhanced g-factors in carrier-doped materials. We show that the g-factors of doped WSe2 monolayers are enhanced by screened-exchange interactions resulting from magnetic-field-induced changes in band occupancies. Our interaction-enhanced g-factors g* agree well with experiment. Unlike traditional valleytronic materials such as silicon, the enhancement in g-factor vanishes beyond a critical magnetic field B-c achievable in standard laboratories. We identify ranges of g* for which this change in g-factor at B-c leads to a valley-filling instability and Landau level alignment, which is important for the study of quantum phase transitions in doped TMDs. We further demonstrate how to tune the g-factors and optimize the valley-polarization for the valley Hall effect.

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Computational methods,Electronic properties and materials,Two-dimensional materials,Materials Science,general,Characterization and Evaluation of Materials,Mathematical and Computational Engineering,Theoretical,Mathematical and Computational Physics,Computational Intelligence,Mathematical Modeling and Industrial Mathematics

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