Thermoelectric and Optical Properties of HfSi2N4 and HfGe2N4: A First‐Principles Investigation DOI
Chayan Das,

Abhishek Abhishek,

Dibyajyoti Saikia

et al.

Advanced Theory and Simulations, Journal Year: 2025, Volume and Issue: unknown

Published: April 3, 2025

Abstract This study explores the thermoelectric and optoelectronic properties of HfSi₂N₄ HfGe₂N₄ monolayers (ML) through first‐principles calculations. Both materials exhibit excellent structural stability, as confirmed by phonon dispersion ab initio molecular dynamics simulations. demonstrates superior power factors higher thermal conductivity, while achieves a remarkable figure merit () 0.92 at 900 K under p‐type doping, surpassing many 2D materials. The inclusion spin‐orbit coupling further enhances performance, especially for HfGe₂N₄. electronic reveal indirect bandgaps 2.89 eV 2.75 HfGe₂N₄, with strong optical absorption peaks in visible range, making them suitable applications. high carrier mobility, reaching 582 cm 2 V⁻¹s⁻¹ achieving an impressive 1870 holes. Thermal conductivity analysis reveals that has significantly lower values than HfSi₂N₄, favoring efficiency. synergy Seebeck coefficients ( S ), tunable makes these promising candidates advanced devices visible‐light optoelectronics. provides comprehensive comparison, offering valuable insights into their applicability next‐generation energy conversion technologies.

Language: Английский

Ultra-wideband and multi-frequency switchable terahertz absorber based on vanadium dioxide DOI
Nan Liu, Zhen Cui, Shuang Zhang

et al.

Solid State Communications, Journal Year: 2025, Volume and Issue: unknown, P. 115884 - 115884

Published: Feb. 1, 2025

Language: Английский

Citations

4
Study on the Photoelectric properties of Series Heterojunctions Based on g-GaN DOI
Xiang Qi, Enling Li, Yang Shen

et al.

Chinese Journal of Physics, Journal Year: 2025, Volume and Issue: unknown

Published: March 1, 2025

Language: Английский

Citations

2
Thermoelectric and Optical Properties of HfSi2N4 and HfGe2N4: A First‐Principles Investigation DOI
Chayan Das,

Abhishek Abhishek,

Dibyajyoti Saikia

et al.

Advanced Theory and Simulations, Journal Year: 2025, Volume and Issue: unknown

Published: April 3, 2025

Abstract This study explores the thermoelectric and optoelectronic properties of HfSi₂N₄ HfGe₂N₄ monolayers (ML) through first‐principles calculations. Both materials exhibit excellent structural stability, as confirmed by phonon dispersion ab initio molecular dynamics simulations. demonstrates superior power factors higher thermal conductivity, while achieves a remarkable figure merit () 0.92 at 900 K under p‐type doping, surpassing many 2D materials. The inclusion spin‐orbit coupling further enhances performance, especially for HfGe₂N₄. electronic reveal indirect bandgaps 2.89 eV 2.75 HfGe₂N₄, with strong optical absorption peaks in visible range, making them suitable applications. high carrier mobility, reaching 582 cm 2 V⁻¹s⁻¹ achieving an impressive 1870 holes. Thermal conductivity analysis reveals that has significantly lower values than HfSi₂N₄, favoring efficiency. synergy Seebeck coefficients ( S ), tunable makes these promising candidates advanced devices visible‐light optoelectronics. provides comprehensive comparison, offering valuable insights into their applicability next‐generation energy conversion technologies.

Language: Английский

Citations

0