Electronic transport and Fermi surface of Weyl semimetal WTe2: quantum oscillations and first-principles study

TL;DR

This study combines experimental measurements and first-principles calculations to analyze the electronic structure and transport properties of the Weyl semimetal WTe2, revealing multiple Fermi surface pockets and non-saturating magnetoresistivity.

Contribution

It provides a detailed analysis of WTe2's electronic structure, including Fermi surface characterization and transport behavior, using quantum oscillations and DFT calculations, highlighting its near-compensated state and complex scattering mechanisms.

Findings

WTe2 exhibits almost quadratic non-saturating magnetoresistivity.

Three Fermi surface pockets identified: two electron and one hole.

Violation of classical Kohler's rule due to multiple scattering mechanisms.

Abstract

Currently, topological semimetals are being actively investigated from both theoretical and experimental perspectives due to their unique physical properties, including topologically protected states, large magnetoresistivity, and high carrier mobility, which make these materials promising for various applications in electronics. In this work, we present experimental and theoretical studies of the electronic structure and electronic transport in the Weyl semimetal $WTe_2$. Band structure of $WTe_2$ was scrutinized with DFT+U+SOC method showing the semimetallic nature and sensitivity of the structure to the value of U and to changes in the Fermi energy. Our results demonstrate that $WTe_2$ is in a near-compensated state and exhibits an almost quadratic non-saturating magnetoresistivity. It is found that $WTe_2$ violates the classical Kohler's rule, which is attributed to the coexistence of multiple scattering mechanisms and a strong temperature dependence of the current carrier concentration. Analysis of the Shubnikov-de Haas oscillations reveals three distinct frequencies corresponding to two electron and one hole Fermi surface pockets, which are well reproduced in Fermi surface calculations. Using the Lifshitz-Kosevich formalism, we determined the electronic structure parameters for each Fermi surface pocket. Additionally, we discuss the relationship between the g-factor and the Berry phase extracted from quantum oscillations.