Topological Phonons and Thermoelectric Conversion in Crystalline Materials

ZK Ding, YJ Zeng, W Liu, LM Tang… - Advanced Functional …, 2024 - Wiley Online Library
Topological phononics, a fascinating frontier in condensed matter physics, holds great
promise for advancing energy‐related applications. Topologically nontrivial phonons …

Recipe for single-pair-Weyl-points phonons carrying the same chiral charges

G Ding, C **e, J Bai, Z Cheng, X Wang, W Wu - Physical Review B, 2023 - APS
Recently, Wang et al.[Phys. Rev. B 106, 195129 (2022) 2469-9950 10.1103/PhysRevB.
106.195129] challenged a widely held belief in the field of Weyl physics, demonstrating that …

Topological phonons in Cs-Te binary systems

Y Yang, J Wang, Y Liu, Y Cui, G Ding, X Wang - Physical Review B, 2023 - APS
In this paper, we used symmetry analyses and first-principles calculations to discover seven
Cs-Te binary systems that have different crystal structures and can host symmetry-enforced …

First-principle insight into the structural, electronic, elastic and optical properties of Cs-based double perovskites Cs 2 XCrCl 6 (X= K, Na)

JY Al-Humaidi, A Ullah, NU Khan, J Iqbal, S Khan… - RSC …, 2023 - pubs.rsc.org
This study communicates the theoretical investigations on the cubic double perovskite
compounds Cs2XCrCl6 (X= K or Na). Density functional theory (DFT) calculations were …

Topological nodal-point phononic systems

T Yang, J Wang, XP Li, X Wang, Z Cheng, W Wang… - Matter, 2024 - cell.com
Topological phonons in materials are associated with specific atomic lattice vibrations
around the terahertz frequency ranges, offering a rich platform for studying various boson …

Exploring the structural, Mechanical, electronic, optical, and thermoelectric properties of Cesium-based double perovskite Cs2GeSnX6 (X= Cl, Br, I) compounds: A …

D Abdullah, DC Gupta - Materials Science in Semiconductor Processing, 2023 - Elsevier
Abstract The Cubic Cs 2 GeSnX 6 (X= Cl, Br, I) double perovskite's structural, thermoelectric,
electronic, and optical properties are examined within the framework of density functional …

A computational insight into the Zintl SZr2N2 and BaAg2S2 phases for optoelectronic thermoelectric applications

J Munir, SMH Qaid, AA Aslam, MU Din… - Physica B: Condensed …, 2023 - Elsevier
The physical characteristics of SZr 2 N 2 and BaAg 2 S 2 Zintl phases have been explored
by utilizing the full-potential augmented plane wave (FP-LAPW) method with the …

[HTML][HTML] Investigation of structural, opto-electronic, mechanical and thermoelectric properties of Rb-based fluoro-perovskites RbXF3 (X= Rh, Os, Ir) via first-principles …

UA Khan, MR Sarker, NU Khan, S Khan… - Journal of Saudi …, 2023 - Elsevier
A theoretical study on Rb-based fluorperovskites RbXF 3 (X= Rh, Os, Ir) is performed for the
first time to explore their structural, electronic, optical and thermoelectric properties. The …

Investigation of electronic, optical, and thermoelectric properties of half-metallic spinel X2NO4 (X= B, Al): First-principles calculations

AY Al-Reyahi, S Al Azar, AA Mousa, SS Essaoud… - Computational …, 2023 - Elsevier
The cubic spinel structure of B 2 NO 4 and Al 2 NO 4 was investigated using ab-initio
calculations for a better understanding of their electronic, bonding, and thermo-optical …

Complete list of valley linear Weyl point phonons in two dimensions

M Zhong, H Liu, J Wang, C **e, H Yuan, Z Zhang… - Physical Review B, 2023 - APS
The discovery of topological quantum states in two-dimensional (2D) systems is one of the
most promising advancements in condensed matter physics. Linear Weyl point (LWP) …