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

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...

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Published in:The Journal of chemical physics 2020-08, Vol.153 (7), p.074105-074105
Main Authors: Rodrigues, J. N. B., Wagner, Lucas K.
Format: Article
Language:English
Subjects:
Charge materials
Density functional theory
Electronic structure
First principles
Magnetic materials
Magnetic permeability
Magnets
Physics
Unconventional superconductivity
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description 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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source American Institute of Physics:Jisc Collections:Transitional Journals Agreement 2021-23 (Reading list); AIP_美国物理联合会现刊（与NSTL共建）
subjects Charge materials
Density functional theory
Electronic structure
First principles
Magnetic materials
Magnetic permeability
Magnets
Physics
Unconventional superconductivity
title Identifying materials with charge–spin physics using charge–spin susceptibility computed from first principles
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