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Abstract The potential of an environmentally friendly and emerging chalcogenide perovskite CaZrSe3for thermoelectric applications is examined. The orthorhombic phase of CaZrSe3has an optimum band gap (1.35–1.40 eV) for single‐junction photovoltaic applications. The predictions reveal that CaZrSe3possesses an absorption coefficient of ≈4 × 105cm−1at photon energies of 2.5 eV with an early onset of optical absorption (≈0.2 eV) well below the optimum band gap. Seebeck coefficient,S, is inversely proportional to the carrier mobility as the calculated average effective mass for electrons is higher than for holes;p‐type doping enhances the electrical conductivity, σ. The electronic thermal conductivityκeremains low at all temperatures. The upper limit of the thermoelectric figure of merit (ZTe) attains ≈1.0 when doped at specific chemical potentials, while a high Seebeck coefficient contributes to the ZTe = 1.95 at 50 K forp‐type doping with 1018cm−3carrier concentration, demonstrating high thermoelectric efficiency.
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Weighted Mobility
Abstract Engineering semiconductor devices requires an understanding of charge carrier mobility. Typically, mobilities are estimated using Hall effect and electrical resistivity meausrements, which are are routinely performed at room temperature and below, in materials with mobilities greater than 1 cm2V‐1s‐1. With the availability of combined Seebeck coefficient and electrical resistivity measurement systems, it is now easy to measure the weighted mobility (electron mobility weighted by the density of electronic states). A simple method to calculate the weighted mobility from Seebeck coefficient and electrical resistivity measurements is introduced, which gives good results at room temperature and above, and for mobilities as low as 10−3cm2V‐1s‐1,Here, μwis the weighted mobility, ρ is the electrical resistivity measured in mΩ cm,Tis the absolute temperature in K,Sis the Seebeck coefficient, andkB/e = 86.3 µV K–1. Weighted mobility analysis can elucidate the electronic structure and scattering mechanisms in materials and is particularly helpful in understanding and optimizing thermoelectric systems.
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- Award ID(s):
- 1729487
- PAR ID:
- 10456676
- Publisher / Repository:
- Wiley Blackwell (John Wiley & Sons)
- Date Published:
- Journal Name:
- Advanced Materials
- Volume:
- 32
- Issue:
- 25
- ISSN:
- 0935-9648
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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