Ab initio perspective on structural and electronic properties of iron-based superconductors

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• 作者：Daniel Guterding ; Steffen Backes ; Milan Tomić ; Harald O. Jeschke and Roser Valentí
• 刊名：physica status solidi (b)
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：254
• 期：1
• 全文大小：2644K
• ISSN：1521-3951

文摘

The discovery of iron pnictides and iron chalcogenides as a new class of unconventional superconductors in 2008 has generated an enormous amount of experimental and theoretical work that identifies these materials as correlated metals with multi-orbital physics, where magnetism, nematicity, and superconductivity are competing phases that appear as a function of pressure and doping. A microscopic understanding of the appearance of these phases is crucial in order to determine the nature of superconductivity in these systems. Here, we review our recent theoretical efforts to describe and understand from first principles the properties of iron pnictides and chalcogenides with special focus on (i) pressure dependence, (ii) effects of electronic correlation, and (iii) origin of magnetism and superconductivity.