FP-LAPW investigation of electronic, magnetic, elastic and thermal properties of Fe-doped zirconium nitride

Full Potential- Linear Augmented Plane Wave (FP-LAPW) method has been employed to study the electronic, magnetic, elastic and thermal properties of Fe-doped Zirconium nitride. In this work, Fe-atoms were doped into the super cell of ZrN in doping concentrations of 12.5%, 25% and 37.5% to replace Zr...

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Veröffentlicht in:	AIP advances 2014-05, Vol.4 (5), p.057121-057121-16
Hauptverfasser:	Sirajuddeen, M. Mohamed Sheik, Banu, I. B. Shameem
Format:	Artikel
Sprache:	eng
Schlagworte:	CHARGE DENSITY DEBYE TEMPERATURE Density of states DOPED MATERIALS Doping Elastic properties ELASTICITY Ferromagnetism Iron MAGNETIC MOMENTS Magnetic properties MAGNETIZATION MATERIALS SCIENCE Plane waves SPECIFIC HEAT Thermodynamic properties WAVE PROPAGATION ZIRCONIUM ZIRCONIUM NITRIDES
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