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Title: Structural instability and magnetism of superconducting KCr 3 As 3

Abstract

We find a lattice instability in the superconductor KCr 3As 3, corresponding to a distortion of the Cr metallic wires in the crystal structure. This distortion couples strongly to both the electronic and magnetic properties, in particular by making the electronic structure much more nearly one dimensional, and by shifting the compound away from magnetism. Here, we discuss the implications of these results in the context of the possibly unconventional superconductivity of this phase.

Authors:
 [1];  [2];  [3];  [4];  [5];  [5];  [6]
  1. Univ. of Missouri, Columbia, MO (United States). Dept. of Physics and Astronomy; Jilin Univ., Changchun (China). College of Materials Science and Engineering
  2. Shanghai Univ., Shanghai (China). Dept. of Physics
  3. Univ. of Missouri, Columbia, MO (United States). Dept. of Physics and Astronomy
  4. Shanghai Univ., Shanghai (China). Shanghai Key Lab. of High Temperature Superconductors, MGI and ICQMS, Dept. of Physics
  5. Jilin Univ., Changchun (China). College of Materials Science and Engineering
  6. Univ. of Missouri, Columbia, MO (United States). Dept. of Physics and Astronomy;
Publication Date:
Research Org.:
Univ. of Missouri, Columbia, MO (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE
OSTI Identifier:
1512859
Alternate Identifier(s):
OSTI ID: 1512543
Grant/Contract Number:  
SC0019114
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 99; Journal Issue: 17; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Superconductor

Citation Formats

Xing, Guangzong, Shang, Ling, Fu, Yuhao, Ren, Wei, Fan, Xiaofeng, Zheng, Weitao, and Singh, David J. Structural instability and magnetism of superconducting KCr3As3. United States: N. p., 2019. Web. doi:10.1103/PhysRevB.99.174508.
Xing, Guangzong, Shang, Ling, Fu, Yuhao, Ren, Wei, Fan, Xiaofeng, Zheng, Weitao, & Singh, David J. Structural instability and magnetism of superconducting KCr3As3. United States. doi:10.1103/PhysRevB.99.174508.
Xing, Guangzong, Shang, Ling, Fu, Yuhao, Ren, Wei, Fan, Xiaofeng, Zheng, Weitao, and Singh, David J. Tue . "Structural instability and magnetism of superconducting KCr3As3". United States. doi:10.1103/PhysRevB.99.174508.
@article{osti_1512859,
title = {Structural instability and magnetism of superconducting KCr3As3},
author = {Xing, Guangzong and Shang, Ling and Fu, Yuhao and Ren, Wei and Fan, Xiaofeng and Zheng, Weitao and Singh, David J.},
abstractNote = {We find a lattice instability in the superconductor KCr3As3, corresponding to a distortion of the Cr metallic wires in the crystal structure. This distortion couples strongly to both the electronic and magnetic properties, in particular by making the electronic structure much more nearly one dimensional, and by shifting the compound away from magnetism. Here, we discuss the implications of these results in the context of the possibly unconventional superconductivity of this phase.},
doi = {10.1103/PhysRevB.99.174508},
journal = {Physical Review B},
issn = {2469-9950},
number = 17,
volume = 99,
place = {United States},
year = {2019},
month = {5}
}

Journal Article:
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Works referenced in this record:

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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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From ultrasoft pseudopotentials to the projector augmented-wave method
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