First-principle investigation on perovskite La_(1-x)Eu_xGaO_3 |
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| Affiliation: | 1. Laboratory of Solid State Microstructures and School of Physics, Nanjing University, Nanjing 210093, China;
2. Zhangjiagang Campus, Jiangsu University of Science and Technology, Zhangjiagang 215600, China |
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| Abstract: | The pseudopotential method has been used to investigate the structural, electronic and magnetic properties of La1-xEuxGaO3 (x=0, 0.25, 0.5, 0.75, and 1) within the scheme of generalized gradient approximation. The spin-polarized calculations demonstrate that the ground state is an antiferromagnetic insulator for x≤0.5, while it is ferromagnetic half-metal at x>0.5. The substitutions of magnetic Eu ions for non-magnetic La ions produce and strength spin polarization, which forcefully urges the system from the insulator to the half metal. Meanwhile, Eu doping strengthens a stoner mechanism for ferromagnetism of La1-xEuxGaO3 (x=0.75 and 1), which may lead to a rapid increasing in the total magnetic moment and therefore, antiferromagnetic-ferromagnetic transition happens. |
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| Keywords: | spin-polarized calculations electronic and magnetic properties Eu-doped Prevskite LaGaO3 |
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