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Title: Trends in pressure-induced layer-selective half-collapsed tetragonal phases in the iron-based superconductor family A e A Fe 4 As 4

Abstract

In this paper, by performing pressure simulations within density functional theory for the family of iron-based superconductors A e A Fe 4 As 4 with A e = Ca , Sr, Ba and A = K , Rb, Cs we predict in these systems the appearance of two consecutive half-collapsed tetragonal transitions at pressures P c 1 and P c 2 , which have a different character in terms of their effect on the electronic structure. We find that, similar to previous studies for CaKFe 4 As 4 , spin-vortex magnetic fluctuations on the Fe sublattice play a key role for an accurate structure prediction in these materials at zero pressure. We identify clear trends of critical pressures and discuss the relevance of the collapsed phases in connection to magnetism and superconductivity. The intriguing cases of EuRbFe 4 As 4 and EuCsFe 4 As 4 , where Eu magnetism coexists with superconductivity, are discussed as well in the context of half-collapsed phases.

Authors:
 [1];  [2];  [1]
  1. Goethe Univ. Frankfurt (Germany). Inst. of Theoretical Physics
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
Publication Date:
Research Org.:
Ames Lab. and Iowa State Univ., Ames, IA (United States); Goethe Univ. Frankfurt (Germany)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); Gordon and Betty Moore Foundation (United States); German Research Foundation (DFG)
OSTI Identifier:
1469156
Alternate Identifier(s):
OSTI ID: 1466433
Report Number(s):
IS-J 9732
Journal ID: ISSN 2469-9950
Grant/Contract Number:  
AC02-07CH11358; GBMF4411
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 98; Journal Issue: 6; 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; first-principles calculations; ferromagnetic superconductors; high-temperature superconductors; density functional theory

Citation Formats

Borisov, Vladislav, Canfield, Paul C., and Valentí, Roser. Trends in pressure-induced layer-selective half-collapsed tetragonal phases in the iron-based superconductor family AeAFe4As4. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.98.064104.
Borisov, Vladislav, Canfield, Paul C., & Valentí, Roser. Trends in pressure-induced layer-selective half-collapsed tetragonal phases in the iron-based superconductor family AeAFe4As4. United States. https://doi.org/10.1103/PhysRevB.98.064104
Borisov, Vladislav, Canfield, Paul C., and Valentí, Roser. 2018. "Trends in pressure-induced layer-selective half-collapsed tetragonal phases in the iron-based superconductor family AeAFe4As4". United States. https://doi.org/10.1103/PhysRevB.98.064104. https://www.osti.gov/servlets/purl/1469156.
@article{osti_1469156,
title = {Trends in pressure-induced layer-selective half-collapsed tetragonal phases in the iron-based superconductor family AeAFe4As4},
author = {Borisov, Vladislav and Canfield, Paul C. and Valentí, Roser},
abstractNote = {In this paper, by performing pressure simulations within density functional theory for the family of iron-based superconductors AeAFe4As4 with Ae=Ca, Sr, Ba and A=K, Rb, Cs we predict in these systems the appearance of two consecutive half-collapsed tetragonal transitions at pressures Pc1 and Pc2, which have a different character in terms of their effect on the electronic structure. We find that, similar to previous studies for CaKFe4As4, spin-vortex magnetic fluctuations on the Fe sublattice play a key role for an accurate structure prediction in these materials at zero pressure. We identify clear trends of critical pressures and discuss the relevance of the collapsed phases in connection to magnetism and superconductivity. The intriguing cases of EuRbFe4As4 and EuCsFe4As4, where Eu magnetism coexists with superconductivity, are discussed as well in the context of half-collapsed phases.},
doi = {10.1103/PhysRevB.98.064104},
url = {https://www.osti.gov/biblio/1469156}, journal = {Physical Review B},
issn = {2469-9950},
number = 6,
volume = 98,
place = {United States},
year = {Fri Aug 24 00:00:00 EDT 2018},
month = {Fri Aug 24 00:00:00 EDT 2018}
}

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Cited by: 16 works
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