Buckling-induced Zener polaron instability in half-doped manganites

被引：15

作者：

Barone, Paolo ^{[1
]}

Picozzi, Silvia ^{[1
]}

van den Brink, Jeroen ^{[2
]}

机构：

[1] CNR SPIN, I-67100 Laquila, Italy

[2] IFW Dresden, Inst Theoret Solid State Phys, D-01171 Dresden, Germany

来源：

PHYSICAL REVIEW B | 2011年 / 83卷 / 23期

关键词：

CHARGE;

D O I：

10.1103/PhysRevB.83.233103

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

By calculating the electronic, orbital, magnetic, and lattice structure of half-doped manganites we establish the central role of oxygen buckling caused by the tilting of the MnO6 octahedra, which is, in essence, a steric effect. The buckling itself does not change the Mn-Mn bonds. Instead, it drives the system toward an instability where these bonds can dimerize. In the presence of electron-electron interactions, this instability can fully develop, and beyond a critical buckling a Zener polaron ground state with dimerized spins, lattice, and orbitals forms spontaneously, resulting in a multiferroic state.

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页数：4

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