109 citations · 266 across the 14 of their papers we have counts for
14 papers
Band tail formation in mono and multilayered transition metal dichalcogenides: A detailed assessment and a quick-reference guide
Prasad Sarangapani, James Charles, Tillmann Kubis
Transition metal dichalcogenides (TMDs) are promising candidates for a wide variety of ultrascaled electronic, quantum computation, and optoelectronic applications. The exponential…
Mode-space-compatible inelastic scattering in atomistic nonequilibrium Green's function implementations
Daniel A. Lemus, James Charles, Tillmann Kubis
The nonequilibrium Green's function (NEGF) method is often used to predict transport in atomistically resolved nanodevices and yields an immense numerical load when inelastic scatt…
Introducing Open boundary conditions in modeling nonperiodic materials and interfaces: the impact of the periodic assumption
James Charles, Sabre Kais, Tillmann Kubis
Simulations are essential to accelerate the discovery of new materials and to gain full understanding of known ones. Although hard to realize experimentally, periodic boundary cond…
Non-equilibrium Green's function predictions of band tails and band gap narrowing in III-V semiconductors and nanodevices
Prasad Sarangapani, Yuanchen Chu, James Charles +1
High-doping induced Urbach tails and band gap narrowing play a significant role in determining the performance of tunneling devices and optoelectronic devices such as tunnel field-…
Explicit screening full band quantum transport model for semiconductor nanodevices
Yuanchen Chu, Prasad Sarangapani, James Charles +2
State of the art quantum transport models for semiconductor nanodevices attribute negative (positive) unit charges to states of the conduction (valence) band. Hybrid states that en…
Control of interlayer delocalization in 2H transition metal dichalcogenides
Kuang-Chung Wang, Teodor K. Stanev, Daniel Valencia +14
It is assessed in detail both experimentally and theoretically how the interlayer coupling of transition metal dichalcogenides controls the electronic properties of the respective…