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Title: Fe Vacancy Order and Domain Distribution in A{sub x}Fe{sub 2−y}Se{sub 2}

Abstract

The Fe vacancy and its ordering pattern is a unique property of the A{sub x}Fe{sub 2−y}Se{sub 2} (A = K, Rb, Cs) superconductors. Below the structural transition temperature T{sub S} ∼ 550 K, the system phase separates into the I4/mmm phase with no Fe vacancy and the I4/m phase with the √5×√5×1 vacancy order. In this work, an Ising-like Hamiltonian defined on the Fe-sublattice is constructed and employed in a Metropolis Monte Carlo simulation to study the Fe vacancy order and the domain distribution under different thermal treatments. A third phase with randomly distributed Fe vacancies and space group I4/mmm is observed in the simulation. The response of the volume fraction of this simulated phase under thermal treatment shows a direct connection to the change of the superconducting shielding fraction under annealing and quenching processes, indicating a close relation between the vacancy disordered I4/mmm phase and the superconducting phase.

Authors:
;  [1]
  1. University of Virginia, Department of Physics (United States)
Publication Date:
OSTI Identifier:
22782489
Resource Type:
Journal Article
Journal Name:
Journal of Superconductivity and Novel Magnetism
Additional Journal Information:
Journal Volume: 31; Journal Issue: 3; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; Article Copyright (c) 2017 Springer Science+Business Media, LLC; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1557-1939
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANNEALING; CESIUM COMPOUNDS; COMPUTERIZED SIMULATION; IRON COMPOUNDS; MONTE CARLO METHOD; POTASSIUM COMPOUNDS; RANDOMNESS; RUBIDIUM COMPOUNDS; SELENIUM COMPOUNDS; SPACE GROUPS; SUPERCONDUCTIVITY; SUPERCONDUCTORS; TERNARY ALLOY SYSTEMS; TRANSITION TEMPERATURE; VACANCIES

Citation Formats

Duan, Chunruo, and Louca, Despina. Fe Vacancy Order and Domain Distribution in A{sub x}Fe{sub 2−y}Se{sub 2}. United States: N. p., 2018. Web. doi:10.1007/S10948-017-4381-1.
Duan, Chunruo, & Louca, Despina. Fe Vacancy Order and Domain Distribution in A{sub x}Fe{sub 2−y}Se{sub 2}. United States. https://doi.org/10.1007/S10948-017-4381-1
Duan, Chunruo, and Louca, Despina. 2018. "Fe Vacancy Order and Domain Distribution in A{sub x}Fe{sub 2−y}Se{sub 2}". United States. https://doi.org/10.1007/S10948-017-4381-1.
@article{osti_22782489,
title = {Fe Vacancy Order and Domain Distribution in A{sub x}Fe{sub 2−y}Se{sub 2}},
author = {Duan, Chunruo and Louca, Despina},
abstractNote = {The Fe vacancy and its ordering pattern is a unique property of the A{sub x}Fe{sub 2−y}Se{sub 2} (A = K, Rb, Cs) superconductors. Below the structural transition temperature T{sub S} ∼ 550 K, the system phase separates into the I4/mmm phase with no Fe vacancy and the I4/m phase with the √5×√5×1 vacancy order. In this work, an Ising-like Hamiltonian defined on the Fe-sublattice is constructed and employed in a Metropolis Monte Carlo simulation to study the Fe vacancy order and the domain distribution under different thermal treatments. A third phase with randomly distributed Fe vacancies and space group I4/mmm is observed in the simulation. The response of the volume fraction of this simulated phase under thermal treatment shows a direct connection to the change of the superconducting shielding fraction under annealing and quenching processes, indicating a close relation between the vacancy disordered I4/mmm phase and the superconducting phase.},
doi = {10.1007/S10948-017-4381-1},
url = {https://www.osti.gov/biblio/22782489}, journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 3,
volume = 31,
place = {United States},
year = {Thu Mar 15 00:00:00 EDT 2018},
month = {Thu Mar 15 00:00:00 EDT 2018}
}