Recent advances in designing thermoelectric materials

M Mukherjee, A Srivastava, AK Singh - Journal of Materials Chemistry …, 2022 - pubs.rsc.org
The rising demand for energy has accelerated the search for clean and renewable sources
and newer approaches towards efficient energy management. One of the most promising …

Unconventional materials: the mismatch between electronic charge centers and atomic positions

J Gao, Y Qian, H Jia, Z Guo, Z Fang, M Liu, H Weng… - Science bulletin, 2022 - Elsevier
The complete band representations (BRs) have been constructed in the work of topological
quantum chemistry. Each BR is expressed by either a localized orbital at a Wyckoff site in …

AIPHAD, an active learning web application for visual understanding of phase diagrams

R Tamura, H Morito, G Deffrennes, M Naito… - Communications …, 2024 - nature.com
Phase diagrams provide considerable information that is vital for materials exploration.
However, the determination of multidimensional phase diagrams typically requires a …

First principle studies on electronic and thermoelectric properties of Fe2TiSn based multinary Heusler alloys

MK Choudhary, H Fjellvåg, P Ravindran - Computational Materials Science, 2023 - Elsevier
Abstract The alloys with 8/18/24 valence electron count (VEC) are promising candidates for
efficient energy conversion and refrigeration applications at low as well as high …

Decisive role of interstitial defects in half-Heusler semiconductors: An ab initio study

P Dey, B Dutta - Physical Review Materials, 2021 - APS
Half-Heusler semiconductors satisfying 18-electron rule typically display promising
characteristics for thermoelectric applications. A persistent inconsistency between the type of …

[HTML][HTML] Structural, elastic, thermodynamic and thermoelectric properties of Fe2TiSn Heusler alloy: high pressure study

TM Bhat, M Nabi, DC Gupta - Results in Physics, 2019 - Elsevier
The effect of high pressure on the structural, electronic, mechanical, thermal and transport
properties of Fe 2 TiSn Heusler alloy are investigated by means of ab-initio calculations …

Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si

K Górnicka, X Gui, JR Chamorro… - Chemistry of …, 2024 - ACS Publications
We report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m,
No. 225) at a critical temperature of T c= 1.3 K and a normalized heat capacity jump at T c, Δ …

Structural, Magnetic, and Transport Properties of Ti(Fe,Re)2Sn Heusler Alloys

I Assahsahi, B Popescu - Metallurgical and Materials Transactions A, 2024 - Springer
This study investigates polycrystalline samples of TiFe2− x Re x Sn (with x={0, 0.02, 0.04,
0.06, 0.2}) synthesized using conventional arc-melting and spark plasma sintering …

Mechanochemical synthesis and thermoelectric properties of TiFe2Sn Heusler alloy

A Novitskii, I Serhiienko, A Nepapushev, A Ivanova… - Intermetallics, 2021 - Elsevier
Heusler alloys have attracted much attention due to their low toxicity, mechanical and
thermal stability, relative abundance, and potential for thermoelectric power generation …

Thermoelectric properties of chemically substituted full-Heusler compounds

I Pallecchi, M Pani, F Ricci, S Lemal, DI Bilc… - Physical Review …, 2018 - APS
According to theoretical predictions [Phys. Rev. Lett. 114, 136601 (2015)
10.1103/PhysRevLett. 114.136601], Sb substitution in F e 2 TiSn full-Heusler compounds is …