خراسانی, الهام

[ 1 ] - بررسی خواص الکترونی و مغناطیسی (A2Ti2O7(A=Er,Tb

The geometrical frustration in the magnetic pyrochlore oxides causes interesting properties at low temperatures in these materials. Therefore, we studied two challenging materials, Er2Ti2O7 and Tb2Ti2O7, using an ab intio method, based on Density Functional Theory (DFT). To take into account the f electrons coulomb interactions correctly, we employed DFT+U, a Hubbard method correction. As spin-...