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    Refining the two-band model for highly compensated semimetals using thermoelectric coefficients

    Ian A. Leahy1,*, Andrew C. Treglia1,†, Gang Cao1, Brian Skinner2, and Minhyea Lee1

    • *Present address: National Renewable Energy Laboratory, Golden, Colorado 80401, USA.
    • †Present address: Department of Physics, Colorado State University, Fort Collins, CO 80523, USA.

    Phys. Rev. B 112, 035135 – Published 11 July, 2025

    DOI: https://doi.org/10.1103/8nhh-cp3k

    Abstract

    In studying compensated semimetals, the two-band model has proven extremely useful in capturing electrical conductivity under magnetic field, as a function of density and mobility of electronlike and holelike carriers. However, it rarely offers practical insight into magnetothermoelectric properties. Here, we report the field dependence of thermoelectric (TE) coefficients in a highly compensated semimetal NbSb2, where we find the Seebeck (Sxx) and Nernst (Sxy) coefficients increase quadratically and linearly with applied magnetic field, respectively. Such field dependence was predicted in previous work that studied a system of two parabolic bands, within semiclassical Boltzmann transport theory when the following two conditions are simultaneously met: ωcτ≫1 and tanθH≪1, where ωc and τ refer to the cyclotron frequency and relaxation time, respectively, and θH is the Hall angle. Under these conditions, we find the field dependence of the TE coefficients directly provides a relation between the electronlike (ne) and holelike (nh) carrier densities, which in turn can be used to refine two-band model fitting. With this, we find the compensation factor (|Δn|ne, where Δn=ne−nh) of NbSb2 is two orders of magnitude smaller than what was found in unrestricted fitting, resulting in a larger saturation-field scale for magnetoresistance. Within the same framework of the semiclassical theory, we also deduce that the thermoelectric Hall angle tanθγ=SxySxx can be expressed as (Δnne×ωcτ)−1, which serves as a parameter to predict the degree of compensation. Our findings offer crucial insights into identifying empirical conditions for field-induced enhancement of TE performance and into engineering-efficient thermoelectric devices based on semimetallic materials.

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