ArticleRSC advances2023
Exploring structural, mechanical, and thermoelectric properties of half-Heusler compounds RhBiX (X = Ti, Zr, Hf): A first-principles investigation.
Article in RSC advances, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- A colossal hydrogen storage capacity of ∼15%, water-splitting for hydrogen production, optical aspects, and high thermoelectric response in LiRSC advances · 2026Article
- Energy harvesting potential of LiHfIrZ (Z = Si, Ge) quaternary Heusler alloys: a first-principles computational study.Scientific reports · 2026Article
- Exploration of some physical properties of new half-Heusler compounds BiXSr (X = Li and K) using first-principles calculations.RSC advances · 2026Article
- Hydrogen storage capacity, strain-improved formation enthalpy, desorption temperature, and high energy harvesting performance of SrGaHRSC advances · 2026Article
- Effect of spin polarization on multifunctional physical properties of the quaternary Heusler alloys CrZCoSn (Z = Zr, Hf) for energy technologies: A comprehensive DFT study.Scientific reports · 2025Article
- High structural stability, reduced lattice-thermal conductivity, and elevated energy harvesting efficiency in a LuRSC advances · 2025Article
- Structural stabilities, robust half-metallicity, magnetic anisotropy, and thermoelectric performance of the pristine/Ir-doped SrRSC advances · 2025Article
- Half metal-to-metal transition and superior transport response with a very high Curie-temperature in CoFeRuSn: strain regulations.RSC advances · 2025Article
- Effects of isotropic strain on the structure and transport properties of half-Heusler alloy BiBaK: a first-principles investigation.RSC advances · 2024Article
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Authors and funding
3 authors.
Funding
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Abstract
In this study, the full potential linearization enhanced plane wave method in density functional theory is used. Additionally, the structure, mechanical, and thermoelectric properties of half-Heusler compounds RhBiX (X = Ti, Zr, Hf) are investigated for the first time. The indirect semiconductors RhBiTi and RhBiZr have 0.89 and 1.06 eV bandgap energies, respectively. In contrast, RhBiHf is a direct bandgap semiconductor with a bandgap energy of 0.33 eV. The thermoelectric parameters such as Seebeck coefficient, power factor, electronic conductivity, lattice thermal conductivity, electronic thermal conductivity, and figure of merit
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Registered trials
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