Open AccessThe Effect of Al2O3 Oxygen Sub-Lattice on Femon2 Phase Stability
Author(s) -
Wissem Richi,
Kamel Zanat,
Hamza Hazourli,
Abdelkader Daoui,
Salah Oudjertli,
D. Zelmati
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1818/1/012150
Subject(s) - condensed matter physics , magnetic moment , lattice constant , lattice (music) , ground state , physics , materials science , atomic physics , quantum mechanics , diffraction , acoustics
All Magnetic phase transition in Iron Molybdate Nitride (FeMoN 2 ) has been studied within the framework of density-functional theory, using generalized gradient approximation (GGA) as exchange correlation functionals. In this study, we suppose that, under the application of pressure, a uni-axial out-of plane structure optimization were done, where the in plane lattice parameters are fixed, within the pressure range of -50Kbar to 600Kbar. We found that the compound save the same structure ( P6 3 /mmc ) with a volume collapses. The volume and magnetic moment of FeMoN 2 in its spin polarized case as well as none spin polarized case, have also been computed as ground state properties. The Magnetic moment of the FeMoN 2 undergoes an anomalous variation accompanied by volume collapse. This volume collapse is attributed to a large variation in the out-of-plane lattice parameter.