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Article

Dissociating the phononic, magnetic and electronic contributions to thermal conductivity: a computational study in alpha-iron

Computational tools to study thermodynamic properties of magnetic materials have, until recently, been limited to phenomenological modeling or to small domain sizes limiting our mechanistic understanding of th...

S. Nikolov, J. Tranchida, K. Ramakrishna, M. Lokamani… in Journal of Materials Science (2022)