A New Unified Analytical Expression for Entropy and its Application to Power Electronic Semiconductors DOI
Zafer Doğan,

Tural Mehmetoğlu

Journal of Electronic Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 24, 2024

Language: Английский

Exploring the electronic, mechanical, anisotropic and optical properties of the Sc-Al-C MAX phases from a first principles calculations DOI
Kun Wang, Xudong Zhang, Feng Wang

et al.

Chemical Physics Letters, Journal Year: 2023, Volume and Issue: 836, P. 141024 - 141024

Published: Dec. 13, 2023

Language: Английский

Citations

49
Structural, mechanical, electronic and thermodynamic properties of YBC, YB2C, YB2C2, Y2B3C2 intermetallics DOI

Ming Tian,

Xudong Zhang, Feng Wang

et al.

Materials Today Communications, Journal Year: 2024, Volume and Issue: 39, P. 108696 - 108696

Published: March 21, 2024

Language: Английский

Citations

35
The electronic, mechanical, anisotropic and thermodynamic properties of ZrAlNi, ZrAlNi2, ZrAl5Ni2 and Zr6Al2Ni ternary intermetallics DOI
Kun Wang, Xudong Zhang, Feng Wang

et al.

Vacuum, Journal Year: 2024, Volume and Issue: 226, P. 113260 - 113260

Published: May 7, 2024

Language: Английский

Citations

18
First-principles investigations on the elastic properties, thermodynamic properties, electronic structures and anisotropy sound velocity of AlTi3N, AlTi2N, AlTi4N3 and Al2Ti3N2 ternary nitrides DOI
Kun Wang, Xudong Zhang, Feng Wang

et al.

Chemical Physics Letters, Journal Year: 2025, Volume and Issue: unknown, P. 141930 - 141930

Published: Feb. 1, 2025

Language: Английский

Citations

4
DFT based comparative analysis of the physical properties of some binary transition metal carbides XC (X = Nb, Ta, Ti) DOI Creative Commons
Razu Ahmed, Md. Mahamudujjaman, Md. Asif Afzal

et al.

Journal of Materials Research and Technology, Journal Year: 2023, Volume and Issue: 24, P. 4808 - 4832

Published: April 20, 2023

Binary metallic carbides belong to technologically prominent class of compounds. Present work theoretically explores the structural, mechanical, optoelectronic, and some thermal properties XC (X = Nb, Ta, Ti) compounds using density functional methodology. A number results obtained are novel. The computed elastic constants moduli disclose that possess moderate anisotropy reasonably good machinability (machinability index above 1.45 for all compounds), mixed bonding characteristics, high Vickers hardness (in range 19–25 GPa) with very Debye temperatures 800–925 K) brittle characteristics. elastic/structural stability conditions fulfilled under study. Young's modulus bulk TiC lower than those NbC TaC. All hard suitable heavy duty structural applications. electronic band structures show finite states at Fermi level revealing character Mixed features evident from charge distribution maps lattice dynamical properties, such as phonon dispersion curves investigated. Absence negative modes in Brillouin zone indicates study dynamically stable. energy dependent optical nearly isotropic. absorption, reflectivity spectra, value low refraction reveal they hold promise be utilized optoelectronics. melting temperature, conductivity, minimum conductivity exhibit conformity Extremely point (4399 compound TaC suggests it is a candidate applications high-temperatures.

Language: Английский

Citations

26
Highly optical anisotropy, electronic and thermodynamic properties of the topological flat bands Kagome Nb3Cl8 DOI
A. Bouhmouche,

A. Jabar,

I. Rhrissi

et al.

Materials Science in Semiconductor Processing, Journal Year: 2024, Volume and Issue: 175, P. 108238 - 108238

Published: Feb. 24, 2024

Language: Английский

Citations

11
Computational evaluation of novel XCuH3 (X = Li, Na and K) perovskite-type hydrides for hydrogen storage applications using LDA and GGA approach DOI
Muhammad Mubashir, Mubashar Ali, Zunaira Bibi

et al.

Journal of Molecular Graphics and Modelling, Journal Year: 2024, Volume and Issue: 131, P. 108808 - 108808

Published: June 5, 2024

Language: Английский

Citations

10
Investigating the physical characteristics of inorganic cubic perovskite CsZnX3 (X = F, Cl, Br, and I): An extensive ab initio study towards potential applications in photovoltaic perovskite devices DOI

Akram K.S. Aqili,

Anas Y. Al‐Reyahi,

Said Al Azar

et al.

Computational and Theoretical Chemistry, Journal Year: 2024, Volume and Issue: 1238, P. 114721 - 114721

Published: June 22, 2024

Language: Английский

Citations

6
First-principles calculations of the electronic structure and optical properties of β-Ga2O3 with various vacancy defects DOI
Wenbo Hu, Min Zhang,

Xining Ma

et al.

Vacuum, Journal Year: 2024, Volume and Issue: 229, P. 113585 - 113585

Published: Aug. 26, 2024

Language: Английский

Citations

6
The influence of Al concentration on the structural stability, electronic and optical properties of InN semiconductor from first-principles study DOI
Yong Pan,

Jiaxin Zhu

Computational Materials Science, Journal Year: 2024, Volume and Issue: 249, P. 113638 - 113638

Published: Dec. 24, 2024

Language: Английский

Citations

6