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20232026
most citedToward a first-principles theory of rare-earth ions in crystals

17 citations · 39 across the 10 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2025

Accurate calculation of light rare-earth magnetic anisotropy with density functional theory

Liqin Ke, R. Flint, Y. Lee

Density functional theory (DFT) has long struggled to treat light rare-earth magnetism. We show that this difficulty arises from an overestimate of the charge asphericity, and…

cond-mat.mtrl-sci2025

Doping-induced Spin Reorientation in Kagome Magnet TmMn6Sn6

Mohamed El Gazzah, Po-Hao Chang, Y. Lee +7

The kagome-lattice compounds RMn6Sn6 (R is a rare earth element), where the Mn atoms form a kagome net in the basal plane, are currently attracting a great deal of attention as the…

cond-mat.mtrl-sci2024★ 1 cited

Three-dimensional nature of anomalous Hall conductivity in YMn6Sn6-xGax, x ~ 0.55

Hari Bhandari, Zhenhua Ning, Po-Hao Chang +8

The unique connectivity of kagome lattices gives rise to topological properties, such as flat bands and Dirac cones. When combined with ferromagnetism and a chemical potential near…

cond-mat.mtrl-sci2024★ 17 cited

Toward a first-principles theory of rare-earth ions in crystals

Y. Lee, Z. Ning, R. Flint +3

Density functional theory (DFT), including its extensions designed to treat strongly correlated localized electron systems such as DFT+ and DFT+dynamical mean field theory, has…

cond-mat.mtrl-sci2024★ 3 cited

Magnetic interactions and excitations in SrMnSb

Zhenhua Ning, Bing Li, Weilun Tang +7

The magnetic interactions in the antiferromagnetic (AFM) Dirac semimetal candidate SrMnSb are investigated using \textit{ab initio} linear response theory and inelastic neutron…