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Large Seebeck coefficient driven by “pudding mold” flat band in hole-doped CuRhO2

Amitayush Jha Thakur1,2, Maximilian Thees1, Franck Fortuna1, Emmanouil Frantzeskakis1, Daisuke Shiga3,4, Hiromichi Kuriyama5, Minoru Nohara6, Hidenori Takagi7,8, Hiroshi Kumigashira3,4 et al.

Andrés F. Santander-Syro1,*

  • *Contact author: andres.santander-syro@universite-paris-saclay.fr

Phys. Rev. Materials 9, L032401 – Published 24 March, 2025

DOI: https://doi.org/10.1103/PhysRevMaterials.9.L032401

Abstract

We report the measurement, using angle-resolved photoemission spectroscopy, of the metallic electronic structure of the hole-doped thermoelectric oxide CuRh0.9Mg0.1O2. The material is found to have a “pudding mold” type band structure, with a nearly flat band edge located near the Fermi level, which is thought to be the origin of the thermoelectric behavior of this material. The experimental data match the density functional theory of the undoped parent compound, simply corrected by a rigid shift of the bands. Transport calculations based on the observed band structure yield a Seebeck coefficient of ∼200µV/K for the undoped parent material, consistent with experimental measurements. Our results show that CuRhO2 is a textbook example of how pure band-structural effects can result in a large thermoelectric figure of merit, demonstrating that flat band edges in oxides are a realistic route for the efficient conversion of thermal energy.

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