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Chemically mediated quantum criticality in NbFe2.

Aftab Alam1, D D Johnson

  • 1Division of Materials Science and Engineering, Ames Laboratory, Iowa 50011, USA. aftab@ameslab.gov

Physical Review Letters
|December 21, 2011
PubMed
Summary
This summary is machine-generated.

Magnetic quantum criticality in Laves-phase Nb(1+c)Fe(2-c) arises from an unconventional band critical point. Alloying increases the Fermi level (E(F)), accessing this critical point and influencing magnetic properties.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Magnetism

Background:

  • Laves-phase Nb(1+c)Fe(2-c) is a rare itinerant intermetallic compound.
  • It exhibits magnetic quantum criticality at approximately 1.5% Nb excess.
  • The origin of this criticality and the role of alloying were previously unclear.

Purpose of the Study:

  • To investigate the origin of magnetic quantum criticality in Nb(1+c)Fe(2-c).
  • To elucidate the mechanism by which chemical alloying influences this phenomenon.
  • To reconcile experimental observations with theoretical models.

Main Methods:

  • First-principles electronic structure calculations.
  • Analysis of Fermi level (E(F)) shifts with varying Nb concentration.
  • Investigation of site occupation preferences and their impact on resistivity.

Main Results:

  • An unconventional band critical point above E(F) explains the observed magnetic quantum criticality.
  • Alloying increases E(F) with increasing Nb concentration, contrary to rigid-band predictions.
  • At 1.74% Nb excess, site occupation becomes random, leading to constant resistivity.

Conclusions:

  • The study identifies an unconventional band critical point as the source of magnetic quantum criticality in Nb(1+c)Fe(2-c).
  • Chemical alloying tunes the Fermi level to access this critical point, mediating the magnetic behavior.
  • The findings challenge rigid-band concepts and explain the observed resistivity trends.