skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Strong 3D and 1D magnetism in hexagonal Fe-chalcogenides FeS and FeSe vs. weak magnetism in hexagonal FeTe

Abstract

We present a comparative theoretical study of the hexagonal forms of the Fe-chalcogenides FeS, FeSe and FeTe with their better known tetragonal forms. While the tetragonal forms exhibit only an incipient antiferromagnetism and experimentally show superconductivity when doped, the hexagonal forms of FeS and FeSe display a robust magnetism. We show that this strong magnetism arises from a van Hove singularity associated with the direct Fe-Fe c-axis chains in the generally more three-dimensional NiAs structure. We also find that hexagonal FeTe is much less magnetic than the other two hexagonal materials, so that unconventional magnetically-mediated superconductivity is possible, although a large T c value is unlikely.

Authors:
 [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1376519
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 7; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Parker, David S. Strong 3D and 1D magnetism in hexagonal Fe-chalcogenides FeS and FeSe vs. weak magnetism in hexagonal FeTe. United States: N. p., 2017. Web. doi:10.1038/s41598-017-03502-5.
Parker, David S. Strong 3D and 1D magnetism in hexagonal Fe-chalcogenides FeS and FeSe vs. weak magnetism in hexagonal FeTe. United States. doi:10.1038/s41598-017-03502-5.
Parker, David S. Tue . "Strong 3D and 1D magnetism in hexagonal Fe-chalcogenides FeS and FeSe vs. weak magnetism in hexagonal FeTe". United States. doi:10.1038/s41598-017-03502-5. https://www.osti.gov/servlets/purl/1376519.
@article{osti_1376519,
title = {Strong 3D and 1D magnetism in hexagonal Fe-chalcogenides FeS and FeSe vs. weak magnetism in hexagonal FeTe},
author = {Parker, David S.},
abstractNote = {We present a comparative theoretical study of the hexagonal forms of the Fe-chalcogenides FeS, FeSe and FeTe with their better known tetragonal forms. While the tetragonal forms exhibit only an incipient antiferromagnetism and experimentally show superconductivity when doped, the hexagonal forms of FeS and FeSe display a robust magnetism. We show that this strong magnetism arises from a van Hove singularity associated with the direct Fe-Fe c-axis chains in the generally more three-dimensional NiAs structure. We also find that hexagonal FeTe is much less magnetic than the other two hexagonal materials, so that unconventional magnetically-mediated superconductivity is possible, although a large Tc value is unlikely.},
doi = {10.1038/s41598-017-03502-5},
journal = {Scientific Reports},
issn = {2045-2322},
number = 1,
volume = 7,
place = {United States},
year = {2017},
month = {6}
}

Works referenced in this record:

Iron-based superconductors: Current status of materials and pairing mechanism
journal, July 2015


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Superconductivity at 39 K in magnesium diboride
journal, March 2001

  • Nagamatsu, Jun; Nakagawa, Norimasa; Muranaka, Takahiro
  • Nature, Vol. 410, Issue 6824
  • DOI: 10.1038/35065039

Chemistry and electronic structure of iron-based superconductors
journal, August 2011


Iron Superconductivity Weathers Another Storm
journal, March 2011


Magnetic transition at 30–34 Kelvin in pyrrhotite: insight into a widespread occurrence of this mineral in rocks
journal, June 1990

  • Rochette, Pierre; Fillion, Gérard; Mattéi, Jean-Luc
  • Earth and Planetary Science Letters, Vol. 98, Issue 3-4
  • DOI: 10.1016/0012-821X(90)90034-U

High-temperature superconductivity in iron-based materials
journal, August 2010

  • Paglione, Johnpierre; Greene, Richard L.
  • Nature Physics, Vol. 6, Issue 9
  • DOI: 10.1038/nphys1759

An overview on iron based superconductors
journal, June 2010


What drives nematic order in iron-based superconductors?
journal, January 2014

  • Fernandes, R. M.; Chubukov, A. V.; Schmalian, J.
  • Nature Physics, Vol. 10, Issue 2
  • DOI: 10.1038/nphys2877

The Electron-Pairing Mechanism of Iron-Based Superconductors
journal, April 2011


Structure and magnetism in synthetic pyrrhotite Fe 7 S 8 : A powder neutron-diffraction study
journal, July 2004


Iron-Based Layered Superconductor La[O 1- x F x ]FeAs ( x = 0.05−0.12) with T c = 26 K
journal, March 2008

  • Kamihara, Yoichi; Watanabe, Takumi; Hirano, Masahiro
  • Journal of the American Chemical Society, Vol. 130, Issue 11
  • DOI: 10.1021/ja800073m

Iron-based superconductors: Magnetism, superconductivity, and electronic structure (Review Article)
journal, September 2012


Timing is crucial
journal, February 2009


Uniform susceptibilities of metallic elements
journal, July 1977


Superconductivity in hexagonal tungsten bronzes
journal, May 1967


Observation of Superconductivity in Tetragonal FeS
journal, August 2015

  • Lai, Xiaofang; Zhang, Hui; Wang, Yingqi
  • Journal of the American Chemical Society, Vol. 137, Issue 32
  • DOI: 10.1021/jacs.5b06687