Chemical Pressure‐Driven Three‐ and Four‐Phonon Scattering in SnTe: Toward Suppressed Lattice Thermal Conductivity and Enhanced Thermoelectric Performance DOI
Zhihao Li, Fulong Liu, Peng Cao

et al.

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: May 26, 2025

Abstract Thermoelectric efficiency of SnTe is constrained by high lattice thermal conductivity. This study demonstrates that chemical pressure, engineered via Pb substitution, suppresses phonon propagation amplifying anharmonicity. Raman and Brillouin spectroscopy reveals pressure enhances four‐phonon scattering reduces optical acoustic lifetimes, while density functional theory (DFT) calculations correlate these effects with a more diffuse dispersion, broadened states, distinct 3 THz spectral feature. These modifications elevate three‐ rates expand the phase space, reducing conductivity to 0.6 W m −1 K . The resultant peak zT 1.3 at 873 underscores as potent phonon‐engineering strategy. Notably, it revealed predominantly mimics “pressure” effect on dynamics through comparative analysis physically pressurized SnTe, establishing universal strategy for thermoelectric optimization tailoring anharmonic dynamics, implications advancing high‐performance energy conversion materials.

Language: Английский

Impact of Sintering Time and Temperature on the Thermoelectric Properties of Sn0.97Mn0.06Te Alloys DOI
Adeel Abbas,

Jinze Zhai,

Zhihao Li

et al.

Ceramics International, Journal Year: 2025, Volume and Issue: unknown

Published: April 1, 2025

Language: Английский

Citations

0
DFT‐Based Investigation of Electronic, Optical, and Thermoelectric Properties of TaCu3X4 (X = S, Se, Te) Chalcogenides for Optoelectronic and Energy Applications DOI Creative Commons
Issam El Bakkali, Abdelali Talbi, Mohamed Louzazni

et al.

International Journal of Energy Research, Journal Year: 2025, Volume and Issue: 2025(1)

Published: Jan. 1, 2025

In this investigation, the electronic, optical, and thermoelectric (TE) characteristics of chalcogenide compound TaCu 3 X 4 (X = S, Se, Te) were examined through first‐principles calculations employing density functional theory (DFT). The exchange‐correlation potential was determined using generalized gradient approximation Perdew‐Burke‐Ernzerhof for solids (GGA‐PBEsol). Analysis band structures indicated semiconducting nature all investigated compounds, with direct gaps measured at 2.4, 2.2, 2 eV Te), respectively. Notably, strong absorption within visible low ultraviolet spectra observed. Optical dispersion analyses, encompassing complex dielectric function, energy loss refractive index, extinction coefficient, reflectivity, optical conductivity, conducted range 0–14 eV, revealing anisotropic polarization across making them promising candidates optoelectronic applications. Furthermore, transport properties compounds assessed, indicating noteworthy electrical electronic thermal Seebeck attributable to majority electron carriers semiconductor characteristics. Effective masses electrons holes curve fitting, highlighting TE behavior, as evidenced by calculated figure merit positioning it a prospective candidate renewable device implementations.

Language: Английский

Citations

0
Phonon-Electron Decoupling Enables Ultralow Thermal Conductivity in YCl3 & Te-Doped Mg3.2Sb1.5Bi0.5 DOI
Jingxuan Liang,

Sitong Luo,

Zhibo Wei

et al.

Materials Today Physics, Journal Year: 2025, Volume and Issue: unknown, P. 101747 - 101747

Published: May 1, 2025

Language: Английский

Citations

0
Chemical Pressure‐Driven Three‐ and Four‐Phonon Scattering in SnTe: Toward Suppressed Lattice Thermal Conductivity and Enhanced Thermoelectric Performance DOI
Zhihao Li, Fulong Liu, Peng Cao

et al.

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: May 26, 2025

Abstract Thermoelectric efficiency of SnTe is constrained by high lattice thermal conductivity. This study demonstrates that chemical pressure, engineered via Pb substitution, suppresses phonon propagation amplifying anharmonicity. Raman and Brillouin spectroscopy reveals pressure enhances four‐phonon scattering reduces optical acoustic lifetimes, while density functional theory (DFT) calculations correlate these effects with a more diffuse dispersion, broadened states, distinct 3 THz spectral feature. These modifications elevate three‐ rates expand the phase space, reducing conductivity to 0.6 W m −1 K . The resultant peak zT 1.3 at 873 underscores as potent phonon‐engineering strategy. Notably, it revealed predominantly mimics “pressure” effect on dynamics through comparative analysis physically pressurized SnTe, establishing universal strategy for thermoelectric optimization tailoring anharmonic dynamics, implications advancing high‐performance energy conversion materials.

Language: Английский

Citations

0