APL Materials · 2019 · 23 citations · 41 references
Natural SciencesMaterials EngineeringMaterials ScienceCondensed Matter PhysicsCrystal StructureMagnetic MaterialsCrystal ChemistryElectronic Band StructureElectronic StructureElectronic Structure Of SolidsMagnetic Properties Of SolidsMagnetism In SolidsBand EngineeringBand Structure EngineeringDirac SemimetalsMagnetic PropertiesNodal Line SemimetalsSingle-crystal GrowthTopological Band StructureTopological Semimetals
The ZrSiS family of compounds has garnered interest as Dirac nodal-line semimetals and offers an approach to study structural motifs coupled with electronic features, such as Dirac crossings. CeSbTe, of the ZrSiS/PbFCl structure type, is of interest due to its magnetically tunable topological states. The crystal structure consists of rare earth capped square nets separating the magnetic Ce–Te layers. In this work, we report the single crystal growth, magnetic properties, and electronic structures of LnSb1−xBixTe (Ln = La, Ce, Pr; x ∼ 0.2) and CeBiTe, adopting the CeSbTe crystal structure, and the implication of tuning the electronic properties by chemical substitution.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17