DFT based comparative analysis of the physical properties of some binary transition metal carbides XC (X = Nb, Ta, Ti)

DFT based comparative analysis of the physical properties of some binary transition metal carbides XC (X = Nb, Ta, Ti)

Binary metallic carbides belong to technologically prominent class of compounds. Present work theoretically explores the structural, mechanical, optoelectronic, and some thermal properties of XC (X = Nb, Ta, Ti) compounds using the density functional methodology. A number of the results obtained are...

Full description

Bibliographic Details
Main Authors: Razu Ahmed, Md Mahamudujjaman, Md Asif Afzal, Md Sajidul Islam, R.S. Islam, S.H. Naqib
Format: Article
Language:English
Published: Elsevier 2023-05-01
Series:Journal of Materials Research and Technology
Subjects:
Transition metal carbides
Density functional theory
Elastic properties
Thermophysical properties
Optoelectronic properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785423008414

Internet

http://www.sciencedirect.com/science/article/pii/S2238785423008414

Similar Items