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 · Mon May 14 00:00:00 EDT 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)

The role of phase separation and the effect of Fe-vacancy ordering in the emergence of superconductivity in alkali metal doped iron selenides A(x)Fe(2-y)Se(2) (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) KxFe2-ySe2 single crystals. The coexistence of superlattice structures with the in-plane root 2 x root 2 K-vacancy ordering and the root 5 x root 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 Fevacancy-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 (root 5 x root 5). The vacancy-disordered phase is nonmagnetic and is most likely the host of superconductivity.

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Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC). Basic Energy Sciences (BES) (SC-22); USDOE; USDOE Office of Science - Office of Basic Energy Sciences - Scientific User Facilities Division

Grant/Contract Number:: AC52-06NA25396; FG02-01ER45927; AC02-06CH11357

OSTI ID:: 1471306

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

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

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

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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