LDA + DMFT study of the effects of correlation in LiFeAs

Johannes Ferber; Kateryna Foyevtsova; Roser Valenti; Harald O. Jeschke

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LDA + DMFT study of the effects of correlation in LiFeAs

机译：LDA + DMFT对LiFeAs中相关性影响的研究

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We discuss the role of electronic correlations in the iron-based superconductor LiFeAs by studying the effects on band structure, mass enhancements, and Fermi surface in the framework of density functional theory combined with dynamical mean field theory calculations. We conclude that LiFeAs shows characteristics of a moderately correlated metal and that the strength of correlations is mainly controlled by the value of the Hund's rule coupling J. The hole pockets of the Fermi surface show a distinctive change in form and size with implications for the nesting properties. Our calculations are in good agreement with recent angle-resolved photoemission spectroscopy and de Haas-van Alphen experiments.

机译：通过在密度泛函理论与动力学平均场理论计算的框架内研究对带结构，质量增强和费米表面的影响，我们讨论了电子相关在铁基超导体LiFeAs中的作用。我们得出的结论是，LiFeAs表现出中等相关金属的特性，并且相关强度主要由洪德法则耦合J的值控制。费米表面的孔穴在形式和尺寸上表现出明显的变化，这对嵌套有一定的影响属性。我们的计算与最近的角度分辨光发射光谱法和de Haas-van Alphen实验非常吻合。

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来源
《Physical review》 |2012年第9期|p.094505.1-094505.6|共6页
作者
Johannes Ferber; Kateryna Foyevtsova; Roser Valenti; Harald O. Jeschke;
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作者单位

Institut fuer Theoretische Physik, Goethe-Universitaet Frankfurt, Max-von-Laue-Strasse 1, D-60438 Frankfurt, Germany;

Institut fuer Theoretische Physik, Goethe-Universitaet Frankfurt, Max-von-Laue-Strasse 1, D-60438 Frankfurt, Germany;

Institut fuer Theoretische Physik, Goethe-Universitaet Frankfurt, Max-von-Laue-Strasse 1, D-60438 Frankfurt, Germany;

Institut fuer Theoretische Physik, Goethe-Universitaet Frankfurt, Max-von-Laue-Strasse 1, D-60438 Frankfurt, Germany;

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正文语种 eng
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strongly correlated electron systems; heavy fermions; fermi surface: calculations and measurements; effective mass, G factor;

机译：强相关电子系统;重费米子费米表面：计算和测量;有效质量;G因子;

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LDA + DMFT study of the effects of correlation in LiFeAs

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