Origin of Jahn-Teller Distortion and Orbital Order in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>LaMnO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>
Eva Pavarini, Erik Koch
Forschungszentrum Jülich
阅读操作
确认中在文库中上传 PDF 后可生成中文音频讲解。
摘要与影响
The origin of the cooperative Jahn-Teller distortion and orbital order in ${\mathrm{LaMnO}}_{3}$ is central to the physics of the manganites. The question is complicated by the simultaneous presence of tetragonal and ${\mathrm{GdFeO}}_{3}$-type distortions and the strong Hund's rule coupling between ${e}_{g}$ and ${t}_{2g}$ electrons. To clarify the situation we calculate the transition temperature for the Kugel-Khomskii superexchange mechanism by using the local density $\mathrm{\text{approximation}}+\mathrm{\text{dynamical}}$ mean-field method, and disentangle the effects of superexchange from those of lattice distortions. We find that superexchange alone would yield ${T}_{\mathrm{KK}}\ensuremath{\sim}650\text{ }\text{ }\mathrm{K}$. The tetragonal and ${\mathrm{GdFeO}}_{3}$-type distortions, however, reduce ${T}_{\mathrm{KK}}$ to $\ensuremath{\sim}550\text{ }\text{ }\mathrm{K}$. Thus electron-phonon coupling is essential to explain the persistence of local Jahn-Teller distortions to $\ensuremath{\gtrsim}1150\text{ }\text{ }\mathrm{K}$ and to reproduce the occupied orbital deduced from neutron scattering.
逐年被引趋势
关键指标
同类平均 = 1
同领域 · 同年份 · 同类型
Google Scholar 与 OpenAlex 的被引统计范围不同,数值存在差异属正常。
AI 辅助阅读
依据:摘要
可就本文提问;依据不足时会说明。
学术脉络
学科主题
材料 / 化学Magnetic and transport properties of perovskites and related materials
Rare-earth and actinide compounds · Advanced Condensed Matter Physics
参考文献 40
此处列出前 3 条
引用本文 142
按被引量排序,此处列出前 3 条