Ab initio DFT calculations predict sizable anomalous Hall conductivity in C-type antiferromagnetic CaCrO3 from Berry curvature hot spots at spin-orbit gapped nodal lines near the Fermi energy.
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Extension of dual localization produces space-and-energy localized Wannier functions that yield frontier orbitals in silicon, ethylene, and copper.
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Ab initio prediction of anomalous Hall effect in antiferromagnetic CaCrO$_3$
Ab initio DFT calculations predict sizable anomalous Hall conductivity in C-type antiferromagnetic CaCrO3 from Berry curvature hot spots at spin-orbit gapped nodal lines near the Fermi energy.
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Wannier Functions Dually Localized in Space and Energy
Extension of dual localization produces space-and-energy localized Wannier functions that yield frontier orbitals in silicon, ethylene, and copper.