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Materials like iron, nickel, and cobalt consist of magnetic domains, within which the magnetic dipoles are arranged parallel to each other. The magnetic dipoles are rigidly aligned in the same direction within a domain by quantum mechanical coupling among the atoms. This coupling is so strong that even thermal agitation at room temperature cannot break it. The result is that each domain has a net dipole moment. However, some materials have weaker coupling, and are ferromagnetic at lower...
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Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
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Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
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Spin crossover in ferropericlase from first-principles molecular dynamics.

E Holmström1, L Stixrude1

  • 1Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, United Kingdom.

Physical Review Letters
|April 4, 2015
PubMed
Summary

Ferropericlase spin crossover occurs in Earth's lower mantle, with magnetic and nonmagnetic iron ions coexisting over a wide pressure range. This spin transition significantly increases the mineral's electrical conductivity, impacting mantle geophysics.

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Area of Science:

  • Geophysics
  • Mineral Physics
  • Computational Materials Science

Background:

  • Ferropericlase ((Mg,Fe)O) is a major component of Earth's lower mantle.
  • Iron ions in ferropericlase undergo a spin crossover transition from magnetic to nonmagnetic states under high pressure.

Purpose of the Study:

  • To determine the finite-temperature phase diagram of the spin crossover in ferropericlase.
  • To investigate the coexistence of magnetic and nonmagnetic iron states.
  • To calculate the electrical conductivity of ferropericlase at lower mantle conditions.

Main Methods:

  • Finite-temperature first-principles calculations.
  • Phase diagram construction based on enthalpy of mixing.
  • Electrical conductivity calculations.

Main Results:

  • A broad pressure range was identified where magnetic and nonmagnetic Fe ions coexist.
  • The enthalpy of mixing favors the coexistence of both spin states.
  • Electrical conductivity of ferropericlase reaches semimetallic values within Earth's interior.

Conclusions:

  • The spin crossover in ferropericlase is complex, involving coexisting spin states.
  • The enhanced electrical conductivity has significant implications for understanding lower mantle processes.
  • This study provides crucial insights into the physical properties of a key lower mantle mineral.