Mott transition and abnormal instability of electronic structure in FeSe

التفاصيل البيبلوغرافية
العنوان: Mott transition and abnormal instability of electronic structure in FeSe
المؤلفون: Kang, Byungkyun, Kim, Maengsuk, Park, Chul Hong, Janotti, Anderson
سنة النشر: 2023
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Strongly Correlated Electrons, Condensed Matter - Superconductivity
الوصف: FeSe has been extensively explored as a quantum material, primarily due to the observed highest superconducting transition temperature among Fe-based unconventional superconductors. Nonetheless, the electronic structure and the electron correlations responsible for the remarkable diversity of physical properties in FeSe remain elusive. 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 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 non-local screening effects on the Fe-3$d$ 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.
نوع الوثيقة: Working Paper
URL الوصول: http://arxiv.org/abs/2310.15260
رقم الأكسشن: edsarx.2310.15260
قاعدة البيانات: arXiv