Crystal growth, characterization and electronic band structure of TiSeS

TL;DR

This study reports the growth, characterization, and electronic structure analysis of TiSeS, revealing its metallic nature and similarities to TiSe2, with detailed insights from DFT and ARPES techniques.

Contribution

First comprehensive investigation of TiSeS single crystals combining experimental and theoretical methods to understand its electronic properties.

Findings

TiSeS has similar morphology to TiSe2.

TiSeS exhibits metallic behavior with no charge density wave.

Electronic band structure of TiSeS resembles TiSe2 but with smaller electron and hole pockets.

Abstract

Layered semimetallic van der Waals materials TiSe2 has attracted a lot of attention because of interplay of a charge density wave (CDW) state and superconductivity. Its sister compound TiS2, being isovalent to TiSe2 and having the same crystal structure, shows a semiconducting behavior. The natural rises what happens at the transition point in TiSe2-xSx, which is expected for x close to 1. Here we report the growth and characterization of TiSeS single crystals and the study of the electronic structure using density functional theory (DFT) and angle-resolved photoemission (ARPES). We show that TiSeS single crystals have the same morphology as TiSe2. Transport measurements reveal a metallic state, no evidence of CDW was found. DFT calculations suggest that the electronic band structure in TiSeS is similar to that of TiSe2, but the electron and hole pockets in TiSeS are much smaller. The ARPES results are in good agreement with the calculations.