[Two-dimensional topological quantum chemistry and catalogue of topological materials]
An international study, in which researchers from the UPV/EHU have participated, has analyzed about 9,000 materials of atomic thickness, identifying more than 4,000 with topological characteristics.
The distinguishing feature of two-dimensional topological insulators is that they are materials that are a million times thinner than a millimeter, which do not conduct electricity from the inside but allow it to flow through its edges without resistance. If they are cut into smaller pieces, the same happens: each new piece has an insulating interior and completely conductive edges.
“It has opened up a vast picture of the quantum materials that are still to be explored.”
Topological quantum chemistry (TQC) completely transformed the computational search for topological insulators and other materials with topological properties. Thanks to it, it has been possible to characterize the topology of thousands of materials. But different symmetries of two-dimensional materials prevent the rigorous application of TQC. This gap has been filled by research published in the Science journal.
An adaptation of the aforementioned theory has been made to allow the exploration of the topology of any monolayer or multi-layer material, as well as an exhaustive analysis of the electronic structure and topology of about 9,000 two-dimensional inputs. The authors indicate that almost half of these entries have been identified as topological materials or materials with obstructed atomic limits, and the results are surprising.
The new adaptation of TQC for 2D materials adds a new dimension to the theoretical framework and opens up a broad panorama of the quantum materials that are still to be explored.
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