Mediaspace scheduled maintenance: Aug 25, 2026 07:00 - 12:00 AM. During this time, videos will be temporarily unavailable. Check status updates.

Lecture

Novel Materials Discovery in Silico

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.

Official source

Related concepts (31)

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.

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 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.

Solid-state physics

Solid-state physics is the study of rigid matter, or solids, through methods such as solid-state chemistry, quantum mechanics, crystallography, electromagnetism, and metallurgy. It is the largest branch of condensed matter physics. Solid-state physics studies how the large-scale properties of solid materials result from their atomic-scale properties. Thus, solid-state physics forms a theoretical basis of materials science. Along with solid-state chemistry, it also has direct applications in the technology of transistors and semiconductors.

Electronic band structure

In solid-state physics, the electronic band structure (or simply band structure) of a solid describes the range of energy levels that electrons may have within it, as well as the ranges of energy that they may not have (called band gaps or forbidden bands). Band theory derives these bands and band gaps by examining the allowed quantum mechanical wave functions for an electron in a large, periodic lattice of atoms or molecules.

Related lectures (31)

Topological Materials: Novel Discoveries and Design

Explores the discovery and design of novel topological materials, covering the timeline, models, effects, and electronic structures.

Berry phases in condensed matter physics

Explores the theory of electric polarization and orbital magnetization in condensed matter physics, focusing on quantum aspects and topological insulators.

Active Matter: Cell Dynamics and Modeling

Explores cell dynamics in active matter, focusing on motility, polarity, and signaling pathways in biological systems.

Density Functional Theory and Tight-Binding Models

Explores modeling multilayer 2D materials, tight-binding models, and electrical conductivity in materials, emphasizing the importance of symmetries and reduced models.

Topological matter and its exploration