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arXiv · 1810.03014

Identifying materials with charge-spin physics using charge-spin susceptibility computed from first principles

J. N. B. Rodrigues·Lucas K. Wagner
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Abstract

The authors present a quantity termed charge-spin susceptibility, which measures the charge response to spin degrees of freedom in strongly correlated materials. This quantity is simple to evaluate using both standard density functional theory and many-body electronic structure techniques, enabling comparison between different levels of theory. A benchmark on 28 layered magnetic materials shows that large values of charge-spin susceptibility correlate with unconventional ground states such as disordered magnets and unconventional superconductivity.

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J. N. B. Rodrigues, Lucas K. Wagner. 2021-02-20. Identifying materials with charge-spin physics using charge-spin susceptibility computed from first principles. https://doi.org/10.1063/1.5144911

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