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University of Cambridge > Talks.cam > Theory of Condensed Matter > Introducing Topological Quantum Chemistry and Topological Materials Data Base

## Introducing Topological Quantum Chemistry and Topological Materials Data BaseAdd to your list(s) Download to your calendar using vCal - Dr Maia Vergniory, Donostia International Physics Center
- Thursday 31 October 2019, 14:15-15:15
- TCM Seminar Room, Cavendish Laboratory.
If you have a question about this talk, please contact Bartomeu Monserrat. In this talk a new field that classifies all topological crystalline phases of all known materials will be introduced: Topological Quantum Chemistry (TQC). It links the chemical and symmetry structure of a given material with its topological properties. This field tabulates the data of the 10398 real-space atomic limits of materials, and solves the compatibility relations of electronic bands in momentum space. A material that is not an atomic limit or whose bands do not satisfy the compatibility relations, is a topological insulator/ semimetal. We use TQC to find the topological stoichiometric non-magnetic, ``high-quality’’ materials in the world. We develop several codes which can compute all characters of all symmetries at all high-symmetry points in the Brillouin Zone (BZ). Using TQC we then develop codes to check which materials are topological. Out of 26938 stoichiometric materials in our filtered ICSD database, we find around 7300 topological materials. For the majority of the “high-quality” topological materials, we compute: the topological class, the symmetry(ies) that protects the topological class, the representations at high symmetry points and the direct gap (for insulators), and the topological index. For topological semimetals we then compute whether the system becomes a topological insulator (whose index/class we compute) upon breaking symmetries – useful for experiments. Our exhaustive results show that a large proportion of all materials in nature are topological. I will also explain an open-source code and end-user button on the Bilbao Crystallographic Server (http://www.cryst.ehu.es/cgi-bin/cryst/programs/topological.pl) which checks the topology of any material and a new materials data base (https://www.topologicalquantumchemistry.com/). This talk is part of the Theory of Condensed Matter series. ## This talk is included in these lists:- All Cavendish Laboratory Seminars
- All Talks (aka the CURE list)
- Centre for Health Leadership and Enterprise
- Combined TCM Seminars and TCM blackboard seminar listing
- Featured lists
- Lennard-Jones Centre
- ME Seminar
- Neurons, Fake News, DNA and your iPhone: The Mathematics of Information
- PMRFPS's
- School of Physical Sciences
- TCM Seminar Room, Cavendish Laboratory
- Theory of Condensed Matter
- Thin Film Magnetic Talks
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## Other listsComputer Laboratory Programming Research Group Seminar Sociolinguistics Seminar Max Cam## Other talksJust a little out of the ordinary Determining the role of lineage-defining transcription factors in ILC3 and Th17 cell function RNA communication between pathogens and their hosts. Finite element exterior calculus - 4 Starting a research project at the Clinical School - Ethics and other considerations |