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Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

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Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
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Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
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A p-n junction is formed when p-type and n-type semiconductor materials are joined together. At the interface of the p-n junction, holes from the p-side and electrons from the n-side begin to diffuse into the opposite sides due to the concentration gradient. This diffusion of carriers leads to a region around the junction where there are no free charge carriers, known as the depletion region. The charge density within the depletion region for the n-side and p-side can be described by the...
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The elements in group 18 are noble gases (helium, neon, argon, krypton, xenon, and radon). They earned the name “noble” because they were assumed to be nonreactive since they have filled valence shells. In 1962, Dr. Neil Bartlett at the University of British Columbia proved this assumption to be false.
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Updated: Jun 10, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Displacive Jahn-Teller Transition in NaNiO2.

Liam A V Nagle-Cocco1, Annalena R Genreith-Schriever2, James M A Steele1,2

  • 1Cavendish Laboratory, University of Cambridge, JJ Thomson Avenue, Cambridge CB3 0HE, United Kingdom.

Journal of the American Chemical Society
|October 14, 2024
PubMed
Summary
This summary is machine-generated.

This study reveals that NaNiO2 undergoes a displacive Jahn-Teller transition, not an order-disorder one. Local probe techniques provide direct evidence for this structural change at the Jahn-Teller transition temperature.

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Area of Science:

  • Solid State Chemistry
  • Materials Science
  • Crystallography

Background:

  • NaNiO2 exhibits a monoclinic layered structure below its Jahn-Teller transition temperature (TJT).
  • Above TJT, the structure transitions to rhombohedral with loss of cooperative Jahn-Teller distortion and increased unit cell volume.

Purpose of the Study:

  • To investigate the nature of the Jahn-Teller transition in NaNiO2.
  • To provide direct evidence for the transition mechanism using local probe techniques.

Main Methods:

  • Neutron total scattering
  • Solid-state Nuclear Magnetic Resonance (NMR)
  • Extended X-ray absorption fine structure (EXAFS)
  • Ab initio molecular dynamics (AIMD) simulations

Main Results:

  • Local probe experiments provide direct evidence for a displacive Jahn-Teller transition.
  • AIMD simulations support the displacive nature of the transition.
  • This study is the first to demonstrate a displacive Jahn-Teller transition using direct local probe observations.

Conclusions:

  • The Jahn-Teller transition in NaNiO2 is confirmed to be displacive.
  • Local probe techniques are effective in characterizing the mechanism of displacive phase transitions.