Investigation of the structural, elastic, electronic, and optical properties of half-heusler CaMgZ (Z= C, Si, Ge, Sn, Pb) compounds

A Saim, F Belkharroubi, FZ Boufadi, I Ameri… - Journal of Electronic …, 2022 - Springer
The structural, elastic, electronic, and optical properties of half-Heusler CaMgZ (Z= C, Si, Ge,
Sn, Pb) compounds are investigated herein. Density functional theory based on the full …

Thermoelectric properties of half-Heusler alloys

R Chen, H Kang, R Min, Z Chen… - International …, 2024 - journals.sagepub.com
Half-Heusler alloys (HHs) as medium-and high-temperature thermoelectric materials have
attracted increasing considerable attention, owing to their excellent mechanical properties …

Half-Heusler-like compounds with wide continuous compositions and tunable p-to n-type semiconducting thermoelectrics

Z Dong, J Luo, C Wang, Y Jiang, S Tan… - Nature …, 2022 - nature.com
Abstract Half-Heusler and full-Heusler compounds were considered as independent phases
with a natural composition gap. Here we report the discovery of TiRu1+ x Sb (x= 0.15~ 1.0) …

Entropy-driven multiscale defects enhance the thermoelectric properties of ZrCoSb-based half-Heusler alloys

R Chen, Q Jiang, L Jiang, R Min, H Kang… - Chemical Engineering …, 2023 - Elsevier
As a new method of alloying, entropy engineering has proven to be an effective strategy to
decrease the lattice thermal conductivity (κ L). However, the majority of entropy engineering …

Iron‐based semiconducting half‐Heusler alloys for thermoelectric applications

NS Chauhan, Y Miyazaki - ChemNanoMat, 2023 - Wiley Online Library
Iron‐based half‐Heusler alloys constitute an emerging class of semiconducting
intermetallics for scalable and efficient thermoelectric conversion, owing to their remarkably …

Large mass field fluctuation and lattice anharmonicity effects promote thermoelectric and mechanical performances in NbFeSb half-Heusler alloys via Ti/Zr/Hf stepwise …

C Tan, H Wang, L Zhao, Y Sun, J Yao, J Zhai… - Journal of Materials …, 2023 - pubs.rsc.org
Thermoelectric materials require not only high performance to maximize the energy-
conversion efficiency but also good mechanical properties to guarantee machinability and …

Reduced lattice thermal conductivity through tailoring of the crystallization behavior of NbCoSn by V addition

C Jung, S Jeon, S Lee, H Park, S Han, J Oh… - Journal of Alloys and …, 2023 - Elsevier
Nanostructuring is a key approach for reducing lattice thermal conductivity. Amorphous
precursors can be used to obtain complex nanostructures, as their crystallization behavior …

Effect of (Na, Si, Al, K or Ca) doping on the electronic structure and optoelectronic properties of half-Heusler LiMgN alloy: Ab initio framework

Y Ziat, Z Zarhri, M Hammi, H Belkhanchi, O Ifguis… - Solid State …, 2022 - Elsevier
The effect of (Ytriple bondNa, Si, Al, K or Ca)-dopant have been investigated on the
electronic structure and optoelectronic properties of LiMgN. In the present work, the ab initio …

Discovery of a Slater–Pauling Semiconductor ZrRu1.5Sb with Promising Thermoelectric Properties

L Wang, Z Dong, S Tan, J Zhang… - Advanced Functional …, 2022 - Wiley Online Library
Cubic half‐and full‐Heusler compounds with respectively 18 and 24 valence electrons
exhibit semiconducting behaviors according to the Slater–Pauling rule. In this work, a half …

Synergistic defect engineering for improving n-type NbFeSb thermoelectric performance through high-throughput computations

J Li, J Zhu, Z Ti, W Zhai, L Wei, C Zhang… - Journal of Materials …, 2022 - pubs.rsc.org
The p-type NbFeSb half-Heusler compound has been proved to be a promising high-
temperature thermoelectric material, and many works have been devoted to improving its …