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cond-mat.mtrl-sci2025
Orbitally-Resolved Mechanical Properties of Solids from Maximally Localized Wannier Functions
Ethan T. Ritz, Guru Khalsa, Hsin-Yu Ko +3
We present a technique for partitioning the total energy from a semi-local density functional theory calculation into contributions from individual electronic states in a localized…
cond-mat.mtrl-sci2024
Optical Control of Ferroaxial Order
Zhiren He, Guru Khalsa
Materials that exhibit ferroaxial order hold potential for novel multiferroic applications. However, in pure ferroaxials, domains are not directly coupled to stress or static elect…