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Related Concept Videos

Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of one, the...
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

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 have a...
The Pauli Exclusion Principle03:06

The Pauli Exclusion Principle

The arrangement of electrons in the orbitals of an atom is called its electron configuration. We describe an electron configuration with a symbol that contains three pieces of information:
Quantum Numbers02:43

Quantum Numbers

It is said that the energy of an electron in an atom is quantized; that is, it can be equal only to certain specific values and can jump from one energy level to another but not transition smoothly or stay between these levels.
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

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.
Valence Bond Theory02:42

Valence Bond Theory

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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Related Experiment Video

Updated: Jul 13, 2026

Nanofabrication of Gate-defined GaAs/AlGaAs Lateral Quantum Dots
15:47

Nanofabrication of Gate-defined GaAs/AlGaAs Lateral Quantum Dots

Published on: November 1, 2013

Strategies to Predict and Design Spin Defects for Quantum Technologies.

Giulia Galli1,2,3, Alfonso Castillo4, Swarnabha Chattaraj3

  • 1Pritzker School of Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States.

Journal of Chemical Theory and Computation
|July 12, 2026
PubMed
Summary

Researchers developed computational tools to design spin defects in materials for quantum information applications. These defects act as qubits, enabling advancements in quantum computing and communication technologies.

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Last Updated: Jul 13, 2026

Nanofabrication of Gate-defined GaAs/AlGaAs Lateral Quantum Dots
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Area of Science:

  • Quantum Information Science
  • Materials Science
  • Condensed Matter Physics

Background:

  • Designing materials for quantum information applications is crucial.
  • Spin defects in semiconductors and insulators offer controllable qubits with long coherence times.
  • These defects can be coupled to nuclear spins for quantum memory.

Purpose of the Study:

  • To present integrated theoretical frameworks and codes for predicting and designing spin defects.
  • To illustrate validated predictions and interpretations of experimental results.
  • To focus on quantum sensing and communication applications.

Main Methods:

  • Density Functional Theory (DFT) for structural and charge stability.
  • First-principles molecular dynamics and machine-learned potentials for defect formation mechanisms.
  • Simulations of electronic and coherence properties essential for functionality.

Main Results:

  • Demonstrated success in predicting and interpreting spin defect properties.
  • Covered heterogeneous solids, surfaces, and mesoscopic defects.
  • Highlighted successes, open problems, and future applications.

Conclusions:

  • Developed advanced computational frameworks for spin defect design.
  • Validated theoretical predictions with experimental interpretations.
  • Paved the way for optimized materials in quantum sensing and communication.