Electronic Structure of a Chain-like Compound: TlSe

Abstract

An ab-initio pseudopotential calculation using density functional theory within the local density approximation has been performed to investigate the electronic properties of TlSe which is of chain-like crystal geometry. The energy bands and effective masses along high symmetry directions, the density of states and valence charge density distributions cut through various planes are presented. The results have been discussed in terms of previously existing experimental and theoretical data, and comparisons with similar compounds have been made.

7 pages

References in corpus (1)

• Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory

Cited by in corpus (4)

• Electronic properties and phase transitions in low-dimensional semiconductors. Part 1. Crystal and electronic structure and transport properties
• Electronic properties and phase transitions in low-dimensional semiconductors. Part 2. Electronic structure: band structure calculations
• Electronic properties and phase transitions in low-dimensional semiconductors. Part 3. Properties under high pressure
• Electronic properties and phase transitions in low-dimensional semiconductors