Orbital-selective correlations and renormalized electronic structure in LiFeAs

Lin, Huihang; Yu, Rong; Zhu, Jian-Xin; Si, Qimiao

doi:10.1103/physrevb.109.075170

Title: Orbital-selective correlations and renormalized electronic structure in LiFeAs

Journal Article · 28 February 2024 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.109.075170 · OSTI ID:2323522

Lin, Huihang ^[1];

^[1]; Zhu, Jian-Xin ^[2]; Si, Qimiao ^[3]

Renmin Univ. of China, Beijing (China)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Rice Univ., Houston, TX (United States)

Multiorbital physics is important to both the correlation physics and topological behavior of quantum materials. LiFeAs is a prototype iron pnictide suitable for in-depth investigation of this issue. Its electronic structure is strikingly different from the prediction of the noninteracting description. Here, a multiorbital Hubbard model is studied using a U(1) slave-spin theory. We demonstrate a mechanism for a substantial change to the Fermi surface, namely, orbital selectivity of the energy-level renormalization cooperating with its counterpart in quasiparticle spectral weight. Using this effect, we show how the dominating features of the electronic structure in LiFeAs are understood by the local correlations alone. In conclusion, our results set the stage to understand the origins and nature of both the unconventional superconductivity and likely electronic topology in this prototype iron pnictide and, more generally, reveal a remarkable degree of universality out of the seemingly complex multiorbital building blocks across a broad range of strongly correlated superconductors.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Rice Univ., Houston, TX (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); National Natural Science Foundation of China (NSFC); Robert A. Welch Foundation

Grant/Contract Number:: 89233218CNA000001; SC0018197

OSTI ID:: 2323522

Alternate ID(s):: OSTI ID: 2474370

Report Number(s):: LA-UR--21-20306

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 7 Vol. 109; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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