DFT analysis of physical properties of quaternary MAX phase nitrides: (Fe0.5M0.5)2SiN (M = Cr & Mn)
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Condensed Matter Physics,Materials Science (miscellaneous),Electronic, Optical and Magnetic Materials
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1. Study of the structural, mechanical and thermodynamic properties of the new MAX phase compounds (Zr1-xTix)3AlC2
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3. The stability analysis and efficiency of the new MAX-phase compounds M3GaC2 (M: Ti or Zr): A first-principles assessment
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1. Exploring highly energetic quaternary double transition metal MAX phase M2ScSiC2 (M = Ti, and V) compositions along with ab-initio assessments;Inorganic Chemistry Communications;2024-09
2. Newly synthesized Pb-based 312 MAX phases M3PbC2 (M = Zr and Hf): A First-principles study;Diamond and Related Materials;2024-06
3. Prediction of new MAX phase Zr2MSiC2 (M = Ti, V) compounds as a promising candidate for future engineering: DFT calculations;Materials Science and Engineering: B;2024-03
4. Numerical simulation studies of the new quaternary MAX phase as future engineering applications: The case study of the Nb2ScAC2 (A = Al, Si) compounds;Scientific Reports;2023-12-22
5. DFT-based Computational Investigations of the Structural, Electronic, Elastic, and Magnetic Properties of Ternary Half-Heusler TiVX (X= Ge, Si, Pb, Sn) Compounds;Chinese Journal of Physics;2023-09
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