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

doi:10.1103/PhysRevB.97.184502

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

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Abstract

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-ySe 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) K _xFe _2-ySe ₂ 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.

Authors:

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)

Publication Date:: 2018-05-14

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

Sponsoring Org.:: 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

OSTI Identifier:: 1471306

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

Report Number(s):: LA-UR-18-28713
Journal ID: ISSN 2469-9950; PRBMDO

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

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 97; Journal Issue: 18; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE

Citation Formats


                    Duan, Chunruo, Yang, Junjie, Ren, Yang, Thomas, Sean Michael, and Louca, Despina. Appearance of superconductivity at the vacancy order-disorder boundary in KxFe2-ySe2.  United States: N. p., 2018. 
        Web.  doi:10.1103/PhysRevB.97.184502.

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                    Duan, Chunruo, Yang, Junjie, Ren, Yang, Thomas, Sean Michael, & Louca, Despina. Appearance of superconductivity at the vacancy order-disorder boundary in KxFe2-ySe2.  United States.  doi:10.1103/PhysRevB.97.184502.

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                    Duan, Chunruo, Yang, Junjie, Ren, Yang, Thomas, Sean Michael, and Louca, Despina. Mon .  
        "Appearance of superconductivity at the vacancy order-disorder boundary in KxFe2-ySe2".  United States.  doi:10.1103/PhysRevB.97.184502.  https://www.osti.gov/servlets/purl/1471306.

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@article{osti_1471306,

  title        = {Appearance of superconductivity at the vacancy order-disorder boundary in KxFe2-ySe2},

  author       = {Duan, Chunruo and Yang, Junjie and Ren, Yang and Thomas, Sean Michael and Louca, Despina},

  abstractNote = {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 AxFe2-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) KxFe2-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.},

  doi          = {10.1103/PhysRevB.97.184502},

  journal      = {Physical Review B},

  number       = 18,

  volume       = 97,

  place        = {United States},

  year         = {2018},

  month        = {5}

}

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DOI: 10.1103/PhysRevB.97.184502

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Title: Appearance of superconductivity at the vacancy order-disorder boundary in K x Fe 2 - y Se 2

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