First Principles Roadmap to Topological Insulators for Quantum Computing Applications

Topological insulators, like regular insulators, have a bulk band gap but also have shielded conducting states on their surface. The creation of topologically protected conducting states on the edge of these materials is due to time reversal symmetry and spin orbit interactions. The quantum spin Hall effect is dominant in two-dimensional (2D) topological insulators, which are referred to as quantum spin Hall insulators. At the surface of a three-dimensional (3D) topological insulator, the novel spin polarised Dirac fermions can be found. On the basis of first principle calculations using density functional theory, the theoretical underpinning for topological insulators that can be used for quantum computing applications is examined in this chapter (DFT). The study’s goal is to examine theoretical calculations performed on various topological insulator materials in order to estimate their structural, elastic, mechanical, electrical, optical, and thermoelectric properties. Also given is a brief introduction of topological insulator materials suited for quantum computing applications.

Author(S) Details

K. Deepthi Jayan
Rajagiri School of Engineering & Technology (Autonomous), Rajagiri Valley, Kakkanad, Kochi, Kerala, India.

P. Rakesh
Ernst & Young, Phase 4, Infopark, Kochi, Kerala, India.

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