INVESTIGADORES
MUDARRA NAVARRO Azucena Marisol
artículos
Título:
First principles and experimental studies of the structural and magnetic ground state of the ternary compound MnFe3N
Autor/es:
GIL REBAZA A. V.; A. M. MUDARRA NAVARRO; MARTINEZ J.; PELTZER Y BLANCÁ E. L.
Revista:
ChemInform
Editorial:
Wiley-VCH
Referencias:
Año: 2016 vol. 47 p. 7 - 7
ISSN:
1522-2667
Resumen:
In the present work, we report an extensive theoretical and experimental study in order to understood and determinate the structural and magnetic ground state of the MnFe3N. For such purpose, ab-initio calculations based on the Density Functional Density have been performed, considering the crystal structures Pm-3m (isostructural to gama-Fe4N) and P4/mmm, and for each crystal structure different magnetic state have been regarded. Moreover, several experimental techniques such as X-ray diffraction, Mossbauer spectroscopy at room temperature and magnetization measurement at 5 K and 100 K were carried out. From the theoretical side, the P4/mmm crystal structure, where the magnetic moment of the atoms Mn and Fe has an antiparallel alignment, belong to ground state, and is supported by the experimental results.
