Topological states in superlattices of HgTe class of materials for engineering three-dimensional flat bands
Description
In search of materials with three-dimensional flat band dispersions, using ab-initio computations we investigate how topological phases evolve as a function of hydrostatic pressure and uniaxial strain in two types of superlattices: HgTe/CdTe and HgTe/HgSe. In short-period HgTe/CdTe superlattices, our analysis unveils the presence of isoenergetic nodal lines, which could host strain-induced three-dimensional flat bands at the Fermi level without requiring doping, when fabricated, for instance, as core-shell nanowires. In contrast, HgTe/HgSe short-period superlattices are found to harbor a rich phase diagram with a plethora of topological phases. Notably, the unstrained superlattice realizes an ideal Weyl semimetal with Weyl points situated at the Fermi level. A small-gap topological insulator with multiple band inversions can be obtained by tuning the volume: under compressive uniaxial strain, the material transitions sequentially into a Dirac semimetal to a nodal-line semimetal, and finally into a topological insulator with a single band inversion. The provided repository contains data to reproduce the figures of the corresponding article.
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http://data.europa.eu/88u/dataset/oai-zenodo-org-6337979 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-6337979 |
Tags
- superlattices
- ab-initio-calculations
- strain
- condensed-matter-physics
- topological-insulators
- hgte
- weyl-semimetals
- nodal-line-semimetals