Skip to Content.
Sympa Menu

forum - [abinit-forum] the LO-TO splitting for the IR active A2u in TiO2 and SiO2

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

[abinit-forum] the LO-TO splitting for the IR active A2u in TiO2 and SiO2


Chronological Thread 
  • From: <gaotaoscu@hotmail.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] the LO-TO splitting for the IR active A2u in TiO2 and SiO2
  • Date: Mon, 13 Apr 2009 21:46:21 +0200 (CEST)

Hello everybody,

When read the paper 'Lattice dynamics and dielectric properties of TiO2
anatase: A first-principles study' published PHYSICAL REVIEW B 66, 155213
(2002). there is one point I can not undserstand, i.e., why there is a LO-TO
splitting for the IR active A2u?

To my best of knowledge, A2u is only a one dimmensional representation for
group D4h(4/mmm). It is quiet easy to find the LO-TO splitting for Eu
representation in ABINIT calculation, because it is a two dimmensional
representation. so it could have the LO-TO splitting. And the same A2u
Splitting also exists in article 'Lattice dynamics and Dielectric Properties
of
SiO2 Stishovite' published on PRL, vo72, p1686,1994.Why there is a LO-TO
splitting for the IR active one dimmenstional representation A2u mode? Could
it be splitted in optical measurement?

I will appreciate your help.

Best,

T Gao




Archive powered by MHonArc 2.6.15.

Top of Page