On Sat, Apr 11, 2015 at 11:52:11AM +0530, Vijeta Singh wrote: > Dear Wien2k users, > > I have a question concerning t2g-eg splitting. Suppose we have an > orthorhombic system LaMnO3 as example. It has both structure Pnma and > Pbnm. For an orthorhombic system dxy, dyz and dxz are in t2g states and > dx2-y2 and dz2 are in eg states. By using Pnma symmetry i am getting dxy, > dyz and dz2 in t2g states and dxz and dx2-y2 in eg states. What is the > reason behind this?
Vijeta, 1) The reason is symmetry 2) t2g and eg are denominations of irreducible represetations (irreps) of the Oh (m-3m) symmetry group. When the crystal suffers deformations the Oh symmetry descends in the symmetry scale. 3) The subject is very deep and I love it. Best regards, Dr. Víctor Luaña -- . . DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: / `' \ "I think the problem, to be quite honest with you, /(o)(o)\ is that you have never actually known what the question is." /`. \/ .'\ / '`'` \ "Lo mediocre es peor que lo bueno, pero también es peor | \'`'`/ | que lo malo, porque la mediocridad no es un grado, es una | |'`'`| | actitud" \/`'`'`'\/ -- Jorge Wasenberg, 2015 ===(((==)))==================================+========================= ! Dr.Víctor Luaña ! Mediocre is worse than ! Departamento de Química Física y Analítica ! good, but it is also ! Universidad de Oviedo, 33006-Oviedo, Spain ! worse than bad, because ! e-mail: vic...@fluor.quimica.uniovi.es ! mediocrity is not a grade, ! phone: +34-985-103491 fax: +34-985-103125 ! it is an attitude +--------------------------------------------+ GroupPage : http://azufre.quimica.uniovi.es/ (being reworked) _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html