RSC Advances · 2016 · 14 citations · 44 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSolid State PhysicsCrystal LatticeCrystalline MaterialsElectronic Band StructureElectronic Transport ModelingPhase TransitionsTransport PropertiesElectronic Structure AnalysisLattice DistortionLattice EnergyLattice Thermal ConductivityThermodynamic AnalysisThermodynamics Of Polymorphic TransitionsTransport In Crystalline MaterialsTransport In Solids
The first-order lattice distortion undergone by β-As<sub>2</sub>Te<sub>3</sub> around 200 K results in a cycling effect on its transport properties.
44
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
<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
Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface
Haijun Zhang, Chao‐Xing Liu, Xiao‐Liang Qi et al. · Nature Physics · 2009 · 6.3K citations