2 papers
cond-mat.mtrl-sci2026
Sequential Quenching to Predict Semiconductor Defect Concentrations from Formation & Migration Energies: The Case of CdTe:As Doping
Khandakar Aaditta Arnab, Intuon Chatratin, Anderson Janotti +1
Defect concentrations in semiconductors are strongly influenced by thermal history during growth and cooldown, yet most defect calculations assume either instantaneous quenching fr…
cond-mat.mtrl-sci2026
Effects of uniaxial strain on monolayer transition-metal dichalcogenides revisited
Igor Evangelista, Abdul Saboor, Muhammad Zubair +6
Using hybrid density functional calculations including spin-orbit coupling, we compute the strain evolution of the band structure of monolayer 1H-phase transition-metal dichalcogen…