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cond-mat.mtrl-sci2026
Higher order anharmonicity and polymorphism in the lattice thermal conductivity of transition metal dichalcogenides
Marta Loletti, Qi Ren, Zhuyao Chang +6
We present a comprehensive {\it ab initio} study of the effect of higher-order anharmonicity and polymorphism on the lattice thermal conductivity, , of single-layer transi…
cond-mat.mtrl-sci2026
An exciting approach to theoretical spectroscopy
Martí Raya-Moreno, Alexander Buccheri, Noah Alexy Dasch +27
Theoretical spectroscopy, and more generally, electronic-structure theory, are powerful concepts for describing the complex many-body interactions in materials. They comprise a var…