Fe Vacancy Order and Domain Distribution in A{sub x}Fe{sub 2−y}Se{sub 2}
- University of Virginia, Department of Physics (United States)
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.
- OSTI ID:
- 22782489
- Journal Information:
- Journal of Superconductivity and Novel Magnetism, Vol. 31, 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); ISSN 1557-1939
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
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