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Related Concept Videos

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Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
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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.
CFT focuses on...
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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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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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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.
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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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Noncollinear magnetism in two-dimensional CrTe2.

Nihad Abuawwad1,2,3, Manuel Dos Santos Dias1,2,4, Hazem Abusara3

  • 1Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich & JARA, 52425 Jülich, Germany.

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|September 2, 2022
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Summary

This study reveals strong magnetoelastic coupling in 2D chromium telluride (CrTe2) monolayers. Structural distortions induce complex magnetic properties, paving the way for advanced spintronic devices.

Keywords:
2D materialsDFT calculationsnoncollinear magnetismspin dynamics

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Magnetism

Background:

  • Two-dimensional (2D) van der Waals magnets are crucial for quantum materials exploration and spintronics.
  • Understanding their magnetic properties is key for next-generation device applications.

Purpose of the Study:

  • To investigate the magnetoelastic coupling in free-standing monolayer chromium telluride (CrTe2).
  • To explore the emergence of non-collinear magnetism and Dzyaloshinskii-Moriya interaction in CrTe2.
  • To analyze the impact of structural distortions on the magnetic properties of 2D CrTe2.

Main Methods:

  • Multiscale modeling combining first-principles calculations and a Heisenberg model with ab-initio parameters.
  • Atomistic spin dynamics simulations.

Main Results:

  • A strong magnetoelastic coupling was identified in monolayer CrTe2.
  • Different crystal structures lead to non-collinear magnetism due to magnetic frustration.
  • The Dzyaloshinskii-Moriya interaction emerges in CrTe2.
  • Structural distortions, including charge density waves, significantly affect the complex magnetic properties.

Conclusions:

  • Monolayer CrTe2 exhibits significant magnetoelastic coupling and complex magnetic behaviors driven by structural variations.
  • These findings offer insights into the fundamental physics of 2D magnets and potential for spintronic applications.