2 papers
cond-mat.mtrl-sci2025
Anion correlation induced nonrelativistic spin splitting in rutile antiferromagnets
Siddhartha S. Nathan, Danilo Puggioni, Linding Yuan +1
Many studies of non-relativistic spin-splitting (NRSS), or altermagnetism, have focused on idealized, perfectly ordered crystals, relying on symmetry-based approaches to identify c…
cond-mat.mtrl-sci2024
Peierls-like distortion drives anion ordering in rutile TiOF
Siddhartha S. Nathan, Danilo Puggioni, James M. Rondinelli
We use first principles density functional theory calculations to examine the effect of multiple anions on the Peierls distortion in the rutile oxyfluoride TiOF. By using a structu…