Electronic structure and magnetic properties of hole-carrier-doped La_2MnNiO_6: La_(2-x)Sr_xMnNiO_6

Bongjae Kim; Hong Chul Choi; Beom Hyun Kim; B. I. Min

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Electronic structure and magnetic properties of hole-carrier-doped La_2MnNiO_6: La_(2-x)Sr_xMnNiO_6

机译：空穴载流子掺杂La_2MnNiO_6的电子结构和磁性：La_（2-x）Sr_xMnNiO_6

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We have investigated hole-carrier-doping effects in a ferromagnetic insulator La_2MnNiO_6. Employing the ab initio band-structure method, we have examined the changes in the electronic structures and the valence states of Sr-doped La_(2-x)Sr_x.MnNiO_6 with varying Sr doping ratio. On Sr doping, we have found a transition from a ferromagnetic insulating phase to a half-metallic phase. The half-metallic nature in La_(2-x)Sr_xMnNiO_6 is found to be robust with respect to the on-site Coulomb correlation of transition metal 3d electrons and the antisite disorder at B sites. We have corroborated that the substantially weak x-ray magnetic circular dichroism signal observed for La_(2-x)Sr_xMnNiO_6, as compared to the undoped system, is caused by antisite disorder at B sites in a Sr-doped system.

机译：我们已经研究了铁磁绝缘体La_2MnNiO_6中的空穴载流子掺杂效应。采用了从头算带结构的方法，我们研究了随着Sr掺杂比的变化，Sr掺杂La_（2-x）Sr_x.MnNiO_6的电子结构和价态的变化。在Sr掺杂中，我们发现了从铁磁绝缘相到半金属相的过渡。发现La_（2-x）Sr_xMnNiO_6中的半金属性质相对于过渡金属3d电子的现场库仑相关性和B位的反位无序具有较强的鲁棒性。我们已经证实，与未掺杂的系统相比，对于La_（2-x）Sr_xMnNiO_6观察到的实质上微弱的X射线磁性圆二色性信号是由Sr掺杂系统中B部位的反位无序引起的。

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《Physical review》 |2010年第22期|P.224402.1-224402.6|共6页
作者
Bongjae Kim; Hong Chul Choi; Beom Hyun Kim; B. I. Min;
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作者单位

PCTP, Department of Physics, Pohang University of Science and Technology, Pohang 790-784, Korea;

rnPCTP, Department of Physics, Pohang University of Science and Technology, Pohang 790-784, Korea;

rnPCTP, Department of Physics, Pohang University of Science and Technology, Pohang 790-784, Korea;

rnPCTP, Department of Physics, Pohang University of Science and Technology, Pohang 790-784, Korea;

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正文语种 eng
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rare earth metals and alloys; studies of specific magnetic materials;

机译：稀土金属和合金;特殊磁性材料的研究;

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Electronic structure and magnetic properties of hole-carrier-doped La_2MnNiO_6: La_(2-x)Sr_xMnNiO_6

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