156 citations · 307 across the 11 of their papers we have counts for
11 papers
Bending effects and optical properties of WSe2 nanoribbons of topological phase
Hong Tang, Jason M. Breslin, Li Yin +1
A WSe2 monolayer of 1T' phase is a large band gap quantum spin Hall insulator, supporting dissipationless charge and spin transports through the topologically protected edge states…
Defect-induced states, defect-induced phase transition and excitonic states in bent transition metal dichalcogenide (TMD) nanoribbons: density functional vs. many body theory
Santosh Neupane, Hong Tang, Adrienn Ruzsinszky
Two-dimensional (2D) transition metal dichalcogenide (TMD) materials have versatile electronic and optical properties. TMD nanoribbons show interesting properties due to reduced di…
Spin-polarization anisotropy included by mechanical bending in tungsten diselenide nanoribbons and tunable excitonic states
Hong Tang, Santosh Neupane, Li Yin +2
A WSe monolayer shows many interesting properties due to its spin-orbit coupling induced spin splitting in bands around the Fermi level and the spin-valley configuration. The o…
Bending as a control knob for the electronic and optical properties of phosphorene nanoribbons
Bimal Neupane, Hong Tang, Niraj K. Nepal +1
We have assessed mechanical bending as a powerful controlling tool for the electronic structure and optical properties of phosphorene nanoribbons. We use state-of-the-art density f…
Tunable band gaps and optical absorption properties of bent MoS nanoribbons
Hong Tang, Bimal Neupane, Santosh Neupane +3
The large tunability of band gaps and optical absorptions of armchair MoS nanoribbons of different widths under bending is studied using density functional theory and many-body…
Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations
Bimal Neupane, Hong Tang, Niraj K. Nepal +2
The recent TASK meta-GGA density functional [Phys. Rev. Research, 1, 033082 (2019)] is constructed with an enhanced nonlocality in the generalized Kohn-Sham scheme, and therefore h…
Resolving the structure-energy dilemma at organic-inorganic interfaces: Adsorption of benzene, thiophene, and xenon over coinage metal surfaces
Santosh Adhikari, Niraj K. Nepal, Hong Tang +1
Semilocal (SL) density functional approximations (DFAs) are widely applied but have limitations due to their inability to incorporate long-range van der Waals (vdW) interaction. No…
Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory
Aaron D. Kaplan, Biswajit Santra, Puskar Bhattarai +8
Exact density functionals for the exchange and correlation energies are approximated in practical calculations for the ground-state electronic structure of a many-electron system.…
Molecule-surface interaction from van der Waals-corrected semilocal density functionals: the example of thiophene on transition-metal surfaces
Santosh Adhikari, Hong Tang, Bimal Neupane +2
Semi-local density functional approximations are widely used. None of them can capture the long-range van der Waals (vdW) attraction between separated subsystems, but they differ r…
Rational design principles of quantum anomalous Hall effect from superlattice-like magnetic topological insulators
Hongyi Sun, Bowen Xia, Zhongjia Chen +7
As one of paradigmatic phenomena in condensed matter physics, the quantum anomalous Hall effect (QAHE) in stoichiometric Chern insulators has drawn great interest for years. By usi…
Origin of the size-dependence of the equilibrium van der Waals binding between nanostructures
Jianmin Tao, John P. Perdew, Hong Tang +1
Nanostructures can be bound together at equilibrium by the van der Waals (vdW) effect, a small but ubiquitous many-body attraction that presents challenges to density functional th…