187 citations · 282 across the 4 of their papers we have counts for
4 papers · 1 filter
Pawpyseed: Perturbation-extrapolation band shifting corrections for point defect calculations
Kyle Bystrom, Danny Broberg, Shyam Dwaraknath +2
Significant progress has been made recently in the automation and standardization of ab initio point defect calculations. However, the task of developing, implementing, and benchma…
Bistable Amphoteric Native Defect Model of Perovskite Photovoltaics
W. Walukiewicz, I. Rey-Stolle, G. Han +6
The past few years have witnessed unprecedented rapid improvement of the performance of a new class of photovoltaics based on halide perovskites. This progress has been achieved ev…
Role of point defects in spinel Mg chalcogenide conductors
Pieremanuele Canepa, Gopalakrishnan Sai Gautam, Danny Broberg +2
Close-packed chalcogenide spinels, such as MgScSe, MgInS and MgScS, show potential as solid electrolytes in Mg batteries, but are affected by non-negligible…
PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators
Danny Broberg, Bharat Medasani, Nils Zimmermann +4
Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion an…