Results 91 to 100 of about 1,799,085 (182)

Isoelectronic Alloying in Zintl Phases Mediated the Avoided Crossing and Phonon Softening

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A small amount of Hf doping endows Zr3Ni3Sb4‐Zintl with an unusually low thermal conductivity far exceeding that of similar systems. Two unique phonon mechanisms—avoided crossing and phonon softening—significantly suppress the lattice thermal conductivity. The average thermoelectric figure of merit is improved by 21%.
Zesong Wang, Xiang Wei, Ran Guo, Shun Han, Weihong Gao, Yu‐dong Fu, Zihang Liu   +6 more
wiley   +1 more source

Theoretical search for half-Heusler topological insulators [PDF]

Physical Review B, 2015
We have performed ab-initio band structure calculations on more than two thousand half-Heusler compounds in order to search for new candidates for topological insulators. Herein, LiAuS and NaAuS are found to be the strongest topological insulators with the bulk band gap of 0.20 and 0.19 eV, respectively, different from the zero band gap feature ...
Lin, S., Chen, M., Yang, X., Zhao, Y., Wu, S., Felser, C., Yan, B.   +6 more
openaire   +4 more sources

High Thermoelectric Figure of Merit by Resonant Dopant in Half-Heusler Alloys

, 2017
Half-Heusler alloys have been one of the benchmark high temperature thermoelectric materials owing to their thermal stability and promising figure of merit ZT. Simonson et al. early showed that small amounts of vanadium doped in Hf0.75Zr0.25NiSn enhanced
Chen, Long, He, Jian, Liu, Yamei, Poon, S. Joseph, Tritt, Terry M.   +4 more
core   +2 more sources

Balancing the Competing Effects of Carrier and Phonon Transport Mechanisms to Enhance the Thermoelectric Properties of p‐Type Ti2Zr2−xHf2Nb2Fe5.6Ni2.4Sb8 Double Half‐Heusler Alloys via Cation Vacancy Engineering

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
By designing Zr vacancy‐filled p‐type Ti2Zr2Hf2Nb2Fe5.6Ni2.4Sb8‐based thermoelectric materials, multi‐physics mechanisms and multi‐scale microstructural defects are induced to optimize electrical properties and phonon transport while suppressing the bipolar diffusion effect.
Chaoyue Wang, Mina Zhang, Longjun He, Shengpan Kan, Ruyan Song, Degang Zhao, Jinghao Li, Daoyong Cong, Xianglin Zhou   +8 more
wiley   +1 more source

Fermi Surface Structure Revealed by Quantum Oscillations in Half‐Heusler Semimetal LuAuSn

Rare Metals, EarlyView.
ABSTRACT The Fermi surface structure in the half‐Heusler semimetallic compound LuAuSn was systematically investigated using quantum oscillation studies of high‐quality single crystals and first‐principles calculations. Clear bulk quantum oscillation signals were observed for multiple complementary physical properties, including magnetization, Hall ...
Yue Lu, Long Zhang, Jie Chen, Feng Zhou, Jie Du, Orest Pavlosiuk, Piotr Wiśniewski, Dariusz Kaczorowski, Yuan Yao, Xuekui Xi, Yongchang Lau, Yisheng Chai, Wenhong Wang   +12 more
wiley   +1 more source

A new diluted magnetic semiconductor: The half-metallic ferromagnet CoTi(1-x)FexSb

, 2006
Half-Heusler compounds with 18 valence electrons are semi-conducting. It will be shown that doping with electrons results in half-metallic ferromagnets, similar to the case of diluted semi-conductors.
Balke, Benjamin, Fecher, Gerhard H., Felser, Claudia, Kroth, Kristian   +3 more
core   +1 more source

High Power Density for All‐Fe2VAl‐based Thermoelectric Module by Enhancing the Power Factor of p‐type Leg Through Defect‐Engineering and Wetting Effect

Small Methods, EarlyView.
ABSTRACT The high thermoelectric performance of Fe2VAl stems from its sharply rising band edges on either side of the band gap, which is highly sensitive to composition. Addressing reproducibility and scale‐up challenges, we have developed a strategy to enhance its p‐type thermoelectric performance by defects and grain boundary engineering through ...
Tarachand, Naohito Tsujii, Raju Chetty, Jayachandran Babu, Takao Mori   +4 more
wiley   +1 more source

Magnetic structure of the antiferromagnetic half-Heusler compound NdBiPt

, 2015
We present results of single crystal neutron diffraction experiments on the rare-earth, half-Heusler antiferromagnet (AFM) NdBiPt. This compound exhibits an AFM phase transition at $T_{\mathrm N}=2.18$~K with an ordered moment of $1.78(9)$~$\mu_{\mathrm ...
Beyer, R., Bianchi, A. D., Desilets-Benoit, A., Gauthier, N., Green, E., Kenzelmann, M., Lapointe, L., Maris, T., Mueller, R. A., Wosnitza, J., Yamani, Z., Zahn, R.   +11 more
core   +1 more source

High‐Entropy 2D MXenes: A New Paradigm for Energy Storage

Battery Energy, Volume 5, Issue 2, March 2026.
This review reports the evolution and advancements in high‐entropy MXene materials, highlighting their structural diversity (M1–M6) and transformative potential for energy and electronic applications. By integrating historical insights with recent breakthroughs, this review highlights the role of compositional complexity in optimising functional ...
Hafiz Taimoor Ahmed Awan, Ahmed A. Aboalhassan, Muhammad Amirul Aizat Mohd Abdah, Muhammad Norhaffis Mustafa, Norshahirah Mohamad Saidi, Rashmi Walvekar, Mohammad Khalid   +6 more
wiley   +1 more source

High-Throughput Computational Screening of thermal conductivity, Debye temperature and Gr\"uneisen parameter using a quasi-harmonic Debye Model

, 2014
The quasi-harmonic Debye approximation has been implemented within the AFLOW and Materials Project frameworks for high-throughput computational science (Automatic Gibbs Library, AGL), in order to calculate thermal properties such as the Debye temperature
Asta, Mark, Curtarolo, Stefano, de Jong, Maarten, Levy, Ohad, Nardelli, Marco Buongiorno, Plata, Jose J., Toher, Cormac   +6 more
core   +1 more source