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Related Concept Videos

Ferromagnetism01:31

Ferromagnetism

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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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Trends in Lattice Energy: Ion Size and Charge02:54

Trends in Lattice Energy: Ion Size and Charge

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An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
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Colors and Magnetism03:02

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Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
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Valence Bond Theory02:42

Valence Bond Theory

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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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Magnetic Force01:18

Magnetic Force

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In addition to the electric forces between electric charges, moving electric charges exert magnetic forces on each other. A magnetic field is created by a moving charge or a group of moving charges known as the electric current. A magnetic force is experienced by a second current or moving charge in response to this magnetic field. Fundamentally, interactions between moving electrons in the atoms of two bodies produce magnetic forces between them.
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Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

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Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
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Correlation between magnetism and lattice dynamics for cubic FeGe under pressure.

Raúl Alfonso Tonacatl-Monez1, Rolf Heid2, Omar De la Peña Seaman1

  • 1Instituto de Física 'Ing. Luis Rivera Terrazas', Benemérita Universidad Autónoma de Puebla, Av. San Claudio & Blvd. 18 Sur, Ciudad Universitaria, C.P. 72570 Puebla, Puebla, Mexico.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|October 24, 2025
PubMed
Summary

This study on ferromagnetic FeGe reveals how applied pressure affects its magnetic and dynamic properties. Using a novel spin-scaling approach, researchers found pressure diminishes phonon anomalies, linked to electron-phonon interactions and magnetic moment changes.

Keywords:
electron–phonon couplingfirst-principles calculationslattice dynamicsmagnetismpressure

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Computational Physics

Background:

  • Ferromagnetic (FM) cubic B20 FeGe exhibits complex behavior under pressure.
  • Standard density functional theory (DFT) calculations often struggle to accurately predict its properties, particularly phonon anomalies.
  • Understanding pressure-induced changes in magnetic and lattice dynamics is crucial for materials applications.

Purpose of the Study:

  • To investigate the effects of applied pressure on the structural, electronic, lattice dynamical properties, and electron-phonon coupling in FM cubic B20 FeGe.
  • To refine theoretical predictions using the spin-scaling exchange-correlation (ssxc) approach, aligning critical pressure with experimental values.
  • To elucidate the correlation between magnetic moment and phonon linewidths under pressure.

Main Methods:

  • Employed first-principles calculations.
  • Utilized the spin-scaling exchange-correlation (ssxc) approach to adjust magnetic moment and phase energetics.
  • Analyzed phonon dispersion, electron-phonon interaction, and electronic joint density of states.

Main Results:

  • The ssxc approach successfully adjusted the critical pressure (pc) and brought the magnetic moment closer to experimental values.
  • Phonon softening and large linewidths near the R-point were mitigated by ssxc and diminished significantly with increasing pressure.
  • The pressure dependence of phonon anomalies and linewidths was found to parallel the magnetic moment's behavior, driven by electron-phonon matrix elements.

Conclusions:

  • Applied pressure significantly influences the electronic and lattice dynamics of FeGe, reducing phonon anomalies.
  • The ssxc method provides a more accurate theoretical framework for studying pressure effects in magnetic materials.
  • The correlation between magnetic moment and phonon linewidths under pressure in FeGe is primarily governed by electron-phonon matrix elements, differing from other B20 materials.