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Title: Itinerant magnetism in metallic CuFe2Ge2

Journal Article · · PLoS ONE
 [1];  [1];  [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Boston College, Chestnut Hill, MA (United States)

Theoretical calculations are performed to understand the electronic structure and magnetic properties of CuFe2Ge2. The band structure reveals large electron density N(EF) at the Fermi level suggesting a strong itinerant character of magnetism. The Fermi surface is dominated by two dimensional sheet like structures, with potentially strong nesting between them. The magnetic ground state appears to be ferromagnetic along a and antiferromagnetic in other directions. The results show that CuFe2Ge2 is an antiferromagnetic metal, with similarities to the Fe-based superconductors; such as magnetism with substantial itinerant character and coupling between magnetic order and electrons at the Fermi energy.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1185908
Journal Information:
PLoS ONE, Vol. 10, Issue 3; ISSN 1932-6203
Publisher:
Public Library of ScienceCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 5 works
Citation information provided by
Web of Science

References (16)

Generalized gradient approximation for the exchange-correlation hole of a many-electron system journal December 1996
Density Functional Study of LaFeAsO 1 x F x : A Low Carrier Density Superconductor Near Itinerant Magnetism journal June 2008
Problems with reconciling density functional theory calculations with experiment in ferropnictides journal August 2008
Ab initiomolecular dynamics for liquid metals journal January 1993
Progress in Neutron Scattering Studies of Spin Excitations in High- T c Cuprates journal January 2012
Unconventional Superconductivity with a Sign Reversal in the Order Parameter of LaFeAsO 1 x F x journal July 2008
Superconductivity in iron compounds journal December 2011
Why N i 3 A l Is an Itinerant Ferromagnet but N i 3 G a Is Not journal April 2004
Unconventional sign-changing superconductivity near quantum criticality in YFe 2 Ge 2 journal January 2014
Magnetism and its microscopic origin in iron-based high-temperature superconductors journal October 2012
Superconductivity at 41 K and Its Competition with Spin-Density-Wave Instability in Layered CeO 1 x F x FeAs journal June 2008
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Evidence for Strong Itinerant Spin Fluctuations in the Normal State of CeFeAsO 0.89 F 0.11 Iron-Oxypnictide Superconductors journal December 2008
Fermi liquid breakdown and evidence for superconductivity in YFe 2 Ge 2 : Fermi liquid breakdown and evidence for superconductivity in YFe journal September 2014
Superconductivity and magnetism in YFe 2 Ge 2 journal January 2014
Theoretical analysis of doped graphene as cathode catalyst in Li-O2 and Na-O2 batteries -- the impact of the computational scheme preprint January 2020

Cited By (1)

Competing magnetic ground states and their coupling to the crystal lattice in CuFe2Ge2 journal October 2016