Abstracts Book - IMRC 2018

• SD1-O032
LATTICE DYNAMICS AND ELECTRON-PHONON COUPLING ON MN1-
xFexSi: EVOLUTION OF MAGNETISM
Omar de la Pena Seaman 1 , Paola González Castelazo 1 , Rolf Heid 2
1 Benemerita Universidad Autonoma de Puebla, Physics institute, Mexico. 2 Karlsruher Institut
für Technologie, Institute for Solid State Physics (IFP), Germany.
We have studied the lattice dynamics and electron-phonon (e-ph) coupling
propierties of the Mn 1-x Fe x Si solid solution as a function of Fe-content. This
system has been analyzed within the framework of density functional
perturbation theory, using a mixed-basis pseudopotential method and the
virtual crystal approximation (VCA) for modeling the alloy. In particular, the
phonon dispersion as well as the phonon linewidths and the electron-phonon
coupling parameter (with q-resolution) have been calculated and analyzed in
two different magnetic phases, non-magnetic and ferromagnetic. The evolution
of particular phonon modes as a function of Fe-content is highly dependent of
the spin-polarization, indicating the existence of correlations between the spin
ordering and the lattice dynamics. Such correlation is easily observed the
behavior of phonon linewidths and e-ph coupling, and is discussed in terms of
the interplay between the electronic and vibrational properties of the solid
solution.
Acknowledgment:
This research was supported by CONACYT-México under project No. CB2013-
221807-F
Keywords: phonons, magnetism, ab-initio
Presenting authors email: oseaman@ifuap.buap.mx