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cond-mat.mtrl-sci2026
Semi-empirical Pseudopotential Method for Monolayer Transition Metal Dichalcogenides
Raj Kumar Paudel, Chung-Yuan Ren, Yia-Chung Chang
We present a semi-empirical pseudopotential method for accurately computing the band structures and bloch states of monolayer transition metal dichalcogenides(TMDCs), including MoS…
cond-mat.mtrl-sci2024
Efficient Band Structure Calculation for Transitional-Metal Dichalcogenides Using the Semiempirical Pseudopotential Method
Raj Kumar Paudel, Chung-Yuan Ren, Yia-Chung Chang
The Semiempirical Pseudopotential Method (SEPM) has emerged as a valuable tool for accurately determining band structures, especially in the realm of low-dimensional materials. SEP…