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Ferromagnetism01:31

Ferromagnetism

3.6K
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...
3.6K
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

1.6K
Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
1.6K
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

1.7K
In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
1.7K
Fermi Level Dynamics01:12

Fermi Level Dynamics

1.1K
The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
1.1K
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)

2.0K
Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
2.0K
Valence Bond Theory02:42

Valence Bond Theory

11.9K
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...
11.9K

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Related Experiment Video

Updated: Apr 15, 2026

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
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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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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
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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.