Appearance of superconductivity at the vacancy order-disorder boundary in KxFe2-ySe2

Duan, Chunruo; Yang, Junjie; Ren, Yang; Thomas, Sean Michael; Louca, Despina

doi:10.1103/PhysRevB.97.184502

Title: Appearance of superconductivity at the vacancy order-disorder boundary in $K_{x} {Fe}_{2 - y} {Se}_{2}$

Journal Article · 13 May 2018 · Physical Review B

DOI: https://doi.org/10.1103/PhysRevB.97.184502 · OSTI ID:1471306

Duan, Chunruo ^[1]; Yang, Junjie ^[1]; Ren, Yang ^[2];

^[3]; Louca, Despina ^[1]

Univ. of Virginia, Charlottesville, VA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

In this work, the role of phase separation and the effect of Fe-vacancy ordering in the emergence of superconductivity in alkali metal doped iron selenides A_xFe_2-ySe₂ (A = K, Rb, Cs) is explored. High energy x-ray diffraction and Monte Carlo simulation were used to investigate the crystal structure of quenched superconducting (SC) and as-grown nonsuperconducting (NSC) K_xFe_2-ySe₂ single crystals. The coexistence of superlattice structures with the in-plane √2 × √2 K-vacancy ordering and the √5 × √5 Fe-vacancy ordering were observed in both the SC and NSC crystals alongside the I4/mmm Fe-vacancy-free phase. Moreover, in the SC crystals, an Fe-vacancy-disordered phase is additionally proposed to be present. Monte Carlo simulations suggest that it appears at the boundary between the I4/mmm vacancy-free phase and the I4/m vacancy-ordered phases (√5 × √5). Lastly, the vacancy-disordered phase is nonmagnetic and is most likely the host of superconductivity.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC). Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC52-06NA25396; FG02-01ER45927

OSTI ID:: 1471306

Alternate ID(s):: OSTI ID: 1437075; OSTI ID: 1473670

Report Number(s):: LA-UR--18-28713

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 18 Vol. 97; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Correlated disorder-to-order crossover in the local structure of K x Fe 2 − y Se 2 − z S z Mangelis, P.; Koch, R. J.; Lei, H. Physical Review B, Vol. 100, Issue 9 https://doi.org/10.1103/physrevb.100.094108	journal	September 2019
Multiple Electronic Components and Lifshitz Transitions by Oxygen Wires Formation in Layered Cuprates and Nickelates Jarlborg, Thomas; Bianconi, Antonio Condensed Matter, Vol. 4, Issue 1 https://doi.org/10.3390/condmat4010015	journal	January 2019
Fermi-Bose Mixtures and BCS-BEC Crossover in High-Tc Superconductors Kagan, Maxim Yu.; Bianconi, Antonio Condensed Matter, Vol. 4, Issue 2 https://doi.org/10.3390/condmat4020051	journal	June 2019

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Title: Appearance of superconductivity at the vacancy order-disorder boundary in $K_{x} {Fe}_{2 - y} {Se}_{2}$