Ab initio investigation of lattice dynamics of fluoride scheelite LiYF4

Details Ab initio investigation of lattice dynamics of fluoride scheelite LiYF4 Ab initio investigation of lattice dynamics of fluoride scheelite LiYF4

2005-04-07

arxiv.org/abs/cond-mat/0504157v1

Physics

Condensed Matter

Materials Science

Scientific paper

10.1088/0953-8984/17/33/001

We report on the phonon dynamics of LiYF4 obtained by direct method using first principle calculations. The agreement between experimental and calculated modes is satisfactory. An inversion between two Raman active modes is noticed compared to inelastic neutron scattering and Raman measurements. The atomic displacements corresponding to these modes are discussed. Multiple inversions between Raman and infrared active groups are present above 360 cm-1. The total and partial phonon density of state is also calculated and analyzed.

Affiliated with

Also associated with

No associations

Rating

Ab initio investigation of lattice dynamics of fluoride scheelite LiYF4 does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Ab initio investigation of lattice dynamics of fluoride scheelite LiYF4, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Ab initio investigation of lattice dynamics of fluoride scheelite LiYF4 will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-362028