153 citations · 1.2k across the 85 of their papers we have counts for
8 papers · 1 filter
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…
Magneto-photoluminescence of exciton Rydberg states in monolayer WSe
Erfu Liu, Jeremiah van Baren, Takashi Taniguchi +3
Monolayer WSe hosts a series of exciton Rydberg states denoted by the principal quantum number n = 1, 2, 3, etc. While most research focuses on their absorption properties, the…
Effective bond-orbital model of III-nitride wurtzite structures based on modified interaction parameters of zinc-blende structures
Fu-Chen Hsiao, Ching-Tarng Liang, Yia-Chung Chang +1
A simple theoretical method for deducing the effective bond-orbital model (EBOM) of III-nitride wurtzite (WZ) semiconductors is presented. In this model, the interaction parameters…
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…
Uniform curves for van der Waals interaction between single-wall carbon nanotubes
Evgeny G. Pogorelov, Alexander I. Zhbanov, Yia-Chung Chang
We report very simple and accurate algebraic expressions for the van der Waals (vdW) potentials and the forces between two parallel and crossed carbon nanotubes. The Lennard-Jones…
Van der Waals interaction between two crossed carbon nanotubes
Alexander I. Zhbanov, Evgeny G. Pogorelov, Yia-Chung Chang
The analytical expressions for the van der Waals potential energy and force between two crossed carbon nanotubes are presented. The Lennard-Jones potential for two carbon atoms and…
Field enhancement factor and field emission from a hemi-ellipsoidal metallic needle
Evgeny G. Pogorelov, Alexander I. Zhbanov, Yia-Chung Chang
We present an exact solution for the electrostatic field between a metallic hemi-ellipsoidal needle on a plate (as a cathode) and a flat anode. The basic idea is to replace the cat…
Including nonlocality in exchange-correlation kernel from time-dependent current density functional theory: Application to the stopping power of electron liquids
V. U. Nazarov, J. M. Pitarke, Y. Takada +2
We develop a scheme for building the scalar exchange-correlation (xc) kernel of time-dependent density functional theory (TDDFT) from the tensorial kernel of time-dependent {\em cu…