activity
20152018
most citedElectronic fitness function for screening semiconductors as thermoelectric materials

131 citations · 395 across the 11 of their papers we have counts for

collaborators

11 papers

cond-mat.mtrl-sci2018

Bismuth and Antimony Based Oxyhalides and Chalcohalides as Potential Optoelectronic Materials

Zhao Ran, Xinjiang Wang, Yuwei Li +5

In the last decade the ns cations (e.g., Pb and Sn) based halides have emerged as one of the most exciting new classes of optoelectronic materials, as exemplified…

cond-mat.mtrl-sci2018★ 79 cited

Ideal Bandgap in a 2D Ruddlesden-Popper Perovskite Chalcogenide for Single-junction Solar Cells

Shanyuan Niu, Debarghya Sarkar, Kristopher Williams +12

Transition metal perovskite chalcogenides (TMPCs) are explored as stable, environmentally friendly semiconductors for solar energy conversion. They can be viewed as the inorganic a…

cond-mat.supr-con2018★ 19 cited

Frustrated structural instability in superconducting quasi-one-dimensional KCrAs

Keith M. Taddei, Guangzong Xing, Jifeng Sun +6

We present neutron total scattering and density functional theory studies on quasi-one-dimensional superconducting KCrAs revealing a frustrated structural instability.…

cond-mat.mtrl-sci2018★ 9 cited

Optical and Electronic Properties of Doped -type CuI: Explanation of Transparent Conductivity from First Principles

Y. Li, J. Sun, D. J. Singh

We report properties of the reported transparent conductor CuI, including the effect of heavy -type doping. The results, based on first principles calculations, include analysis…

cond-mat.mtrl-sci2018★ 21 cited

Tunability of electronic and optical properties of the Ba-Zr-S system via dimensional reduction

Y. Li, D. J. Singh

Transition metal sulfide perovskites offer lower band gaps and greater tunability than oxides, along with other desirable properties for applications. Here we explore dimensional r…

cond-mat.mtrl-sci2017★ 37 cited

Properties of the ferroelectric visible light absorbing semiconductors: SnPS and SnPSe

Yuwei Li, David J. Singh

Ferroelectrics with suitable band gaps have recently attracted attention as candidate solar absorbing materials for photovoltaics. The inversion symmetry breaking may promote the s…