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계산과학부

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세미나

Seminar
FIELD Computational Sciences
DATE January 21 (Thu), 2021
TIME 13:00-18:00
PLACE 1503
SPEAKER Park, Jejune
HOST Park, Jejune
INSTITUTE  
TITLE [GS_C_CM] Group Meeting
ABSTRACT Depending on the growth method, transition metal dichalcogenides can show a polycrystalline nature. The presence of grain boundaries is expected to significantly affect electronic and transport properties. For this research, I mainly focus on one of the common grain boundaries, mirror twin boundary (MTB) with a 60°angle between adjacent grains. Based on an atomistic tight-binding model recalibrated on DFT calculations, in particular DFT+U+V, and on the Landauer-B?ttiker Green’s function approach, electronic and transport properties of MTBs and their network system are investigated.
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