Ab-initio study of pressure evolution of structural, mechanical and magnetic properties of cementite (Fe3C) phase

S Gorai,P. S. Ghosh,C. Bhattacharya,A. Arya

Ab-initio study of pressure evolution of structural, mechanical and magnetic properties of cementite (Fe3C) phase

2018

S Gorai
P. S. Ghosh
C. Bhattacharya
A. Arya

The pressure evolution of phase stability, structural and mechanical properties of Fe3C in ferro-magnetic (FM) and high pressure non magnetic (NM) phase is investigated from first principle calcula...

Keywords:

Computational chemistry
Cementite
Ab initio
Chemistry
phase stability
non magnetic
high pressure
First principle
Materials science
Thermodynamics

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