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Magnon-phonon interactions from first principles
<p>In this paper, we show many-body calculations of magnon-phonon (mag-ph) coupling based on the ab initio Bethe-Salpeter equation. We derive expressions for mag-ph... -
Magnons from time-dependent density-functional perturbation theory and nonemp...
Spin excitations play a fundamental role in understanding magnetic properties of materials, and have significant technological implications for magnonic devices. However,... -
First-principles characterization of thermal conductivity in LaPO₄-based alloys
Alloys based on lanthanum phosphate (LaPO₄) are often employed as thermal barrier coatings, due to their low thermal conductivity and structural stability over a wide... -
Adjustable potential probes for band-gap predictions of extended systems thro...
We describe a nonempirical procedure for achieving accurate band gaps of extended systems through the insertion of suitably defined potential probes. By enforcing Koopmans'...
