Spin-selective evolution of the Zhang-Rice state in binary transition metal oxide MnO(001) film

Kundu, Asish K.; Sheverdyaeva, Polina M.; Moras, Paolo; Menon, Krishnakumar S. R.; Mandal, Subhasish; Carbone, Carlo

doi:10.1103/physrevb.109.195111

Title: Spin-selective evolution of the Zhang-Rice state in binary transition metal oxide MnO(001) film

Journal Article · 03 May 2024 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.109.195111 · OSTI ID:2396608

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^[4]; Carbone, Carlo ^[2]

International Centre for Theoretical Physics (ICTP), Trieste (Italy); Consiglio Nazionale delle Ricerche (CNR), Trieste (Italy); Brookhaven National Laboratory (BNL), Upton, NY (United States)
Consiglio Nazionale delle Ricerche (CNR), Trieste (Italy)
Saha Institute of Nuclear Physics, Kolkata (India)
West Virginia Univ., Morgantown, WV (United States)

Here, the Zhang-Rice (ZR) state is a strongly hybridized bound state formed by transition-metal and oxygen atoms. The spin fluctuations within the ZR state are known to play an important role in high-T_c superconductivity in cuprates. Here, we employ a combination of angle-resolved photoemission spectroscopy (ARPES), x-ray photoemission spectroscopy (XPS), and ab initio embedded dynamical mean-field theory (eDMFT) to investigate the influence of magnetic ordering on the spectral characteristics of the valence band and Mn 2⁢p core-level in MnO (001) ultrathin films. Our results demonstrate that a complex spin-selective evolution of Mn 3⁢d-O2⁢p hybridization develops due to the long-range antiferromagnetic (AFM) ordering. This hybridization significantly alters the spectral shape and weight of the ZR state. Specifically, in the AFM phase, we observed the sharpening of the ZR state and band folding with the periodicity of the AFM unit cell of MnO(001). We also demonstrated a strong connection between the spectral evolution of the ZR state and the non-local screening channels of the photoexcited core holes. Further, our detailed temperature-dependent study reveals the presence of short-range antiferromagnetic correlations that exist at much higher temperatures than Neel temperature (T_N) and shows the evolution of the ZR state across the magnetic transitions and its implication to the core-hole screening in 3⁢d binary transition metal oxides.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); US Air Force Office of Scientific Research (AFOSR); USDOD; National Science Foundation (NSF)

Grant/Contract Number:: SC0012704

OSTI ID:: 2396608

Report Number(s):: BNL--225799-2024-JAAM

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 19 Vol. 109; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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