Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Valence Bond Theory02:42

Valence Bond Theory

8.6K
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...
8.6K
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

1.0K
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,...
1.0K
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

997
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...
997
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

957
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...
957
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

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

1.1K
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...
1.1K
The Pauli Exclusion Principle03:06

The Pauli Exclusion Principle

38.5K
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:
38.5K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Harnessing the Spin-Flip Radiative Lifetimes of Optically Addressable Molecular Qubits.

JACS Au·2026
Same author

Characterizing Defect Dynamics in Silicon Carbide Using Symmetry-Adapted Collective Variables and Machine Learning Interatomic Potentials.

Journal of chemical theory and computation·2026
Same author

Defects at play: Shaping the photophysics and photochemistry of ice.

Proceedings of the National Academy of Sciences of the United States of America·2025
Same author

Probing aqueous interfaces with spin defects.

The Journal of chemical physics·2025
Same author

A single-GPU implementation of first-principles molecular dynamics.

The Journal of chemical physics·2025
Same author

Donor-Acceptor Pairs Near Silicon Carbide Surfaces.

The journal of physical chemistry letters·2025
Same journal

Sub1 contributes to heart failure with preserved ejection fraction driven by aging in mice.

Nature communications·2026
Same journal

The BRCA1-A complex restricts replication fork reversal-dependent DNA repair in ATM deficient cells.

Nature communications·2026
Same journal

Signaling downstream of tumor-stroma interaction regulates mucinous colorectal adenocarcinoma apicobasal polarity.

Nature communications·2026
Same journal

Click-polymerized polyenamine membranes for efficient lithium extraction.

Nature communications·2026
Same journal

Joint trajectories of brain atrophy, white matter hyperintensities and cognition quantify brain maintenance.

Nature communications·2026
Same journal

Proton shuttling at electrochemical interfaces under alkaline hydrogen evolution.

Nature communications·2026
See all related articles

Related Experiment Video

Updated: Jul 15, 2025

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
09:06

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope

Published on: March 24, 2019

8.1K

Engineering the formation of spin-defects from first principles.

Cunzhi Zhang1, Francois Gygi2, Giulia Galli3,4,5

  • 1Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL, USA.

Nature Communications
|September 26, 2023
PubMed
Summary
This summary is machine-generated.

We developed a computational method to control the formation of spin defects, like silicon carbide divacancies, crucial for quantum technologies. This research optimizes defect yield for better quantum computing applications.

More Related Videos

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
09:00

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser

Published on: June 28, 2018

10.0K
Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope
11:14

Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope

Published on: May 28, 2016

13.9K

Related Experiment Videos

Last Updated: Jul 15, 2025

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
09:06

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope

Published on: March 24, 2019

8.1K
Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
09:00

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser

Published on: June 28, 2018

10.0K
Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope
11:14

Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope

Published on: May 28, 2016

13.9K

Area of Science:

  • Quantum computing
  • Materials science
  • Condensed matter physics

Background:

  • Spin qubits are essential for quantum technologies.
  • Controlling spin defect formation in materials is key.
  • Silicon carbide divacancies (VV) are promising spin qubits.

Purpose of the Study:

  • To present a computational protocol for atomistic synthesis of point defects.
  • To apply this protocol to silicon carbide divacancies (VV).
  • To optimize VV formation for quantum applications.

Main Methods:

  • Density functional theory (DFT) calculations.
  • Enhanced sampling techniques.
  • First-principles molecular dynamics.

Main Results:

  • Predicted optimal annealing temperatures for VV formation.
  • Showed how to engineer the Fermi level to optimize VV yield.
  • Validated results against experimental data.

Conclusions:

  • Provided atomistic insights into point defect formation and annihilation.
  • Established a protocol for designing spin defects in semiconductors.
  • Aimed at advancing silicon carbide-based quantum technologies.