Lecture

Novel Materials Discovery in Silico

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Description

This lecture by the instructor focuses on the computational exploration of novel materials, particularly the quantum spin Hall insulator phase in transition metal dichalcogenides. The presentation delves into high-throughput search protocols, first-principles calculations using DFT and MBPT, and the theoretical predictions and experimental confirmations of topological phases in materials like B-Bi4l4 and Weyl semimetals. The lecture also covers the challenges in band gap calculations and the implications of the discovered materials on the field of condensed matter physics.

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Related concepts (32)

Topological order

In physics, topological order is a kind of order in the zero-temperature phase of matter (also known as quantum matter). Macroscopically, topological order is defined and described by robust ground state degeneracy and quantized non-Abelian geometric phases of degenerate ground states. Microscopically, topological orders correspond to patterns of long-range quantum entanglement. States with different topological orders (or different patterns of long range entanglements) cannot change into each other without a phase transition.

Topological insulator

A topological insulator is a material whose interior behaves as an electrical insulator while its surface behaves as an electrical conductor, meaning that electrons can only move along the surface of the material. A topological insulator is an insulator for the same reason a "trivial" (ordinary) insulator is: there exists an energy gap between the valence and conduction bands of the material. But in a topological insulator, these bands are, in an informal sense, "twisted", relative to a trivial insulator.

Topological quantum computer

A topological quantum computer is a theoretical quantum computer proposed by Russian-American physicist Alexei Kitaev in 1997. It employs quasiparticles in two-dimensional systems, called anyons, whose world lines pass around one another to form braids in a three-dimensional spacetime (i.e., one temporal plus two spatial dimensions). These braids form the logic gates that make up the computer. The advantage of a quantum computer based on quantum braids over using trapped quantum particles is that the former is much more stable.

Condensed matter physics

Condensed matter physics is the field of physics that deals with the macroscopic and microscopic physical properties of matter, especially the solid and liquid phases which arise from electromagnetic forces between atoms. More generally, the subject deals with condensed phases of matter: systems of many constituents with strong interactions among them. More exotic condensed phases include the superconducting phase exhibited by certain materials at extremely low cryogenic temperature, the ferromagnetic and antiferromagnetic phases of spins on crystal lattices of atoms, and the Bose–Einstein condensate found in ultracold atomic systems.

Fractional quantum Hall effect

The fractional quantum Hall effect (FQHE) is a physical phenomenon in which the Hall conductance of 2-dimensional (2D) electrons shows precisely quantized plateaus at fractional values of . It is a property of a collective state in which electrons bind magnetic flux lines to make new quasiparticles, and excitations have a fractional elementary charge and possibly also fractional statistics.

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