Effect of strain and many-body corrections on the band inversions and topology of bismuth
C. König, James C. Greer, Stephen Fahy
Abstract
The electronic band structure of Bi is calculated using state of the art electronic structure methods, including density functional theory and ${G}_{0}{W}_{0}$ quasiparticle approximations. The delicate ordering of states at the $L$ point of the Brillouin zone, which determines the topological character of the electronic bands, is investigated in detail. The effect on the bands of strain, changing the structural parameters of the rhombohedral crystal structure, is shown to be important in determining this ordering and the resulting topological character.
Topics & Concepts
Brillouin zoneBismuthCharacter (mathematics)QuasiparticleElectronic band structureElectronic structureTopology (electrical circuits)Condensed matter physicsPhysicsMaterials scienceMathematicsGeometryCombinatoricsSuperconductivityMetallurgyTopological Materials and PhenomenaIron-based superconductors researchRare-earth and actinide compounds