Thermodynamic Stability, Thermoelectric, Elastic and Electronic Structure Properties of ScMN<sub>2</sub>-Type (M = V, Nb, Ta) Phases Studied by ab initio Calculations

Thermodynamic Stability, Thermoelectric, Elastic and Electronic Structure Properties of ScMN<sub>2</sub>-Type (M = V, Nb, Ta) Phases Studied by ab initio Calculations

ScMN<sub>2</sub>-type (M = V, Nb, Ta) phases are layered materials that have been experimentally reported for M = Ta and Nb, but they have up to now not been much studied. However, based on the properties of binary ScN and its alloys, it is reasonable to expect these phases to be of rele...

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Bibliographic Details
Main Authors: Robert Pilemalm, Leonid Pourovskii, Igor Mosyagin, Sergei Simak, Per Eklund
Format: Article
Language:English
Published: MDPI AG 2019-03-01
Series:Condensed Matter
Subjects:
ScTaN<sub>2</sub>
inverse MAX phase
thermoelectric properties
density functional theory
Online Access:https://www.mdpi.com/2410-3896/4/2/36

Internet

https://www.mdpi.com/2410-3896/4/2/36

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