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锰氧化物中的取代无序和电荷局域化。

Substitutional disorder and charge localization in manganites.

机构信息

CFP and Departamento de Física, Faculdade de Ciências Universidade do Porto, P-4169-007 Porto, Portugal.

出版信息

J Phys Condens Matter. 2010 Feb 24;22(7):075601. doi: 10.1088/0953-8984/22/7/075601. Epub 2010 Feb 2.

Abstract

In the manganites RE(1 - x)AE(x)MnO(3) (RE and AE being rare-earth and alkaline-earth elements, respectively) the random distribution of RE(3 + ) and AE(2 + ) induces random, but correlated, shifts of site energies of charge carriers in the Mn sites. We consider a realistic model of this diagonal disorder, in addition to the double-exchange hopping disorder, and investigate the metal-insulator transition as a function of temperature, across the paramagnetic-ferromagnetic line, and as a function of doping  x. Contrary to previous results, we find that values of parameters, estimated from the electronic structure of the manganites, are not incompatible with the possibility of a disorder-induced metal to insulator transition accompanying the ferromagnetic to paramagnetic transition at intermediate doping (x ∼ 0.2-0.4). These findings indicate clearly that substitutional disorder has to be considered as an important effect when addressing the colossal magnetoresistance properties of manganites.

摘要

在钙钛矿结构的锰氧化物 RE(1 - x)AE(x)MnO(3) 中(RE 和 AE 分别代表稀土元素和碱土元素),RE(3+) 和 AE(2+) 的随机分布导致了 Mn 位载流子的局域能级发生随机但关联的移动。我们在考虑双交换跳跃无序的同时,还考虑了这种对角无序的实际模型,并研究了作为温度函数的金属-绝缘体转变,跨越顺磁-铁磁线,以及作为掺杂 x 的函数。与之前的结果相反,我们发现,从锰氧化物的电子结构估算出的参数值,与在中间掺杂(x∼0.2-0.4)时伴随铁磁到顺磁转变的无序诱导金属-绝缘体转变的可能性并不矛盾。这些发现清楚地表明,在研究锰氧化物的巨磁电阻性质时,必须考虑取代性无序的重要影响。

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