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Published on: May 23, 2018
Mott-Insulator State of FeSe as a Van der Waals 2D Material Is Unveiled
Byungkyun Kang1, Maengsuk Kim2, Chul Hong Park2
1College of Arts and Sciences, <a href="https://ror.org/01sbq1a82">University of Delaware</a>, Newark, Delaware 19716, USA.
Abstract:
We undertook a comprehensive investigation of the electronic structure of FeSe, known as a Hund metal, and found that it is not uniquely defined. Through accounting for all two-particle irreducible diagrams constructed from electron Green's function G and screened Coulomb interaction W in a self-consistent manner, a Mott-insulator phase of 2D-FeSe is unveiled. The metal-insulator transition is driven by the strong on-site Coulomb interaction in its paramagnetic phase, accompanied by the weakening of both local and nonlocal screening effects on the Fe-3d orbitals. Our results suggest that Mott physics may play a pivotal role in shaping the electronic, optical, and superconducting properties of monolayer or nanostructured FeSe.
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