BandITT - Band Interpolation and Topology Toolkit
BandITT - Band Interpolation and Topology Toolkit
Disciplines
Physics, Astronomy (100%)
Keywords
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Electronic Structure,
Topological Meterials,
Group Theory,
Band Interpolation
Innovative materials represent a steppingstone for the development of new technologies: quite intriguing for applications is a class of materials, known as topological materials, which show the presence of exotic behaviour on their surfaces or edges. The most remarkable property is possibly the ability to conduct an electrical current on the samples edges without dissipation; the range of foreseeable applications of topological materials will therefore include electronics, surface catalysis and quantum computing. In this project we aim at developing a computer code that allows us to systematically explore materials. We suggest doing so by applying the rigorous framework of group theory: this is the mathematical theory of symmetries. In other, competitive, approaches this is generally sidestepped, by including symmetries implicitly in the description of the electronic states. We anticipate that our approach will facilitate the description of topological materials and the discovery of new materials with desired properties.
- Technische Universität Wien - 100%
Research Output
- 6 Citations
- 5 Publications
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2024
Title A tool to check whether a symmetry-compensated collinear magnetic material is antiferro- or altermagnetic DOI 10.21468/scipostphyscodeb.30 Type Journal Article Author Smolyanyuk A Journal SciPost Physics Codebases Pages 030 Link Publication -
2024
Title Codebase release r1.0 for amcheck DOI 10.21468/scipostphyscodeb.30-r1.0 Type Journal Article Author Smolyanyuk A Journal SciPost Physics Codebases Link Publication -
2024
Title Fragility of the magnetic order in the prototypical altermagnet RuO2 DOI 10.1103/physrevb.109.134424 Type Journal Article Author Smolyanyuk A Journal Physical Review B Pages 134424 -
2023
Title Localized f-electron magnetism in the semimetal Ce3Bi4Au3 DOI 10.1103/physrevb.108.245125 Type Journal Article Author Ajeesh M Journal Physical Review B Pages 245125 Link Publication -
2023
Title Local symmetry groups for arbitrary wavevectors DOI 10.1088/1751-8121/ad0011 Type Journal Article Author Maggio E Journal Journal of Physics A: Mathematical and Theoretical Pages 455307 Link Publication