کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1666426 | 1518071 | 2013 | 4 صفحه PDF | دانلود رایگان |
The spontaneous electric polarization (SEP) in the multiferroic Ga2−xFexO3Ga2−xFexO3 (x = 1/2, 1, 3/2) systems is determined from their electronic structure using a first principles method and the modern theory of polarization. This is done by following carefully the SEP on a path connecting the polar and centrosymmetric structures. For the antiferromagnetic GaFeO3 system, the SEP is found to be − 25.0 μC/cm2 which is 10 times larger than previous estimation given into the literature a few years ago. Similar SEP values are obtained for x = 1/2 and 3/2 where the system is highly magnetized. The homogeneous switching of this SEP through a centrosymmetric structure is discussed in terms of the total energy barrier and it is exhibited that such a process is particularly difficult to achieve in relation with the tetrahedral environment of half of the Ga atoms into the polar structure.
► The electric polarization is calculated from first principles method into GaFeO3
► The concentration of Fe versus Ga is taken equal to 1/2, 1 and 3/2.
► The electric polarization is weakly affected when the Fe concentration is varied
► The energy barrier for homogeneous switching is found to be very high.
Journal: Thin Solid Films - Volume 533, 30 April 2013, Pages 93–96