10 citations · 23 across the 7 of their papers we have counts for
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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…
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…
Density functional calculations of atomic structure, charging effect, and static dielectric constant of two-dimensional systems based on B-splines
Chung-Yuan Ren, Yia-Chung Chang
We implement a total-energy minimization scheme to allow for relaxation of atomic positions in density functional calculations for two-dimensional (2D) systems using a mixed basis…
A Mixed Basis Density Functional Approach for One-Dimensional Systems with B-splines
Chung-Yuan Ren, Yia-Chung Chang, Chen-Shiung Hsue
A mixed basis approach based on density functional theory is extended to one-dimensional(1D) systems. The basis functions here are taken to be the localized B-splines for the two f…