First-principles calculations to investigate structural, elastic and thermodynamic properties of new M2ScSnC2 (M=V or Nb) quaternary compounds for 312 MAX phases

First-principles calculations to investigate structural, elastic and thermodynamic properties of new M2ScSnC2 (M=V or Nb) quaternary compounds for 312 MAX phases

In this research, the approach of FP-LAPW (full potential linearized augmented plane wave) is employed within WIEN2K for the investigations of structural, thermodynamic, electronic, and mechanical properties of the V2ScSnC2 and Nb2ScSnC2 MAX-phases quaternary compounds. The V2ScSnC2 and Nb2ScSnC2 co...

Full description

Bibliographic Details
Main Authors: Mohammed Bendjemai, Ahmed Azzouz Rached, Mudasser Husain, Ali Bentouaf, Nasir Rahman, Vineet Tirth, Ali Algahtani, Abdulaziz H. Alghtani, Tawfiq Al-Mughanam
Format: Article
Language:English
Published: Elsevier 2023-05-01
Series:Journal of Materials Research and Technology
Subjects:
DFT investigations
312-MAX phases
Structural properties
Thermodynamic properties
Mechanical properties
Thermal barrier coatings
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785423006750

Internet

http://www.sciencedirect.com/science/article/pii/S2238785423006750

Similar Items