2 papers
cond-mat.mtrl-sci2026
Defect Tolerance in Trigonal Selenium Photovoltaics
Jiban Kangsabanik, Kasper Tolborg, Thomas Olsen +1
Understanding how point defects fundamentally influence photovoltaic performance remains a central question for emerging wide-band gap absorbers. Trigonal selenium (t-Se) has recen…
cond-mat.mtrl-sci2024
Effect of Hubbard U corrections on the electronic and magnetic properties of 2D materials: A high-throughput study
Sahar Pakdel, Thomas Olsen, Kristian S. Thygesen
We conduct a systematic investigation of the role of Hubbard U corrections in electronic structure calculations of two-dimensional (2D) materials containing 3d transition metals. S…