Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Mean free path and Mean free time

Mean free path and Mean free time

Consider the gas molecules in a cylinder. They move in a random motion as they collide with each other and change speed and direction. The average of all the path lengths between collisions is known as the "mean free path."

Diamagnetic Shielding of Nuclei: Local Diamagnetic Current

Diamagnetic Shielding of Nuclei: Local Diamagnetic Current

An applied magnetic field causes the electrons present in the molecule to circulate, setting up a local diamagnetic current within the molecule. The local diamagnetic current arising from circulating sigma-bonding electrons induces a magnetic field, Blocal that opposes the applied magnetic field, B0. The effective magnetic field experienced by these nuclei is given by the difference between the applied and local magnetic fields in a phenomenon called local diamagnetic shielding. Essentially,...

Molecular Orbital Theory I

Molecular Orbital Theory I

Overview of Molecular Orbital Theory

The Fluid Mosaic Model

The Fluid Mosaic Model

The fluid mosaic model was first proposed as a visual representation of research observations. The model comprises the composition and dynamics of membranes and serves as a foundation for future membrane-related studies. The model depicts the structure of the plasma membrane with a variety of components, which include phospholipids, proteins, and carbohydrates. These integral molecules are loosely bound, defining the cell’s border and providing fluidity for optimal function.

Van der Waals Interactions

Van der Waals Interactions

Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory - Octahedral Complexes

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...

You might also read

Related Articles

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

Sort by

Same author

Exciton Steering via Potential Landscape Engineered by Excited Electron-Hole Phase Transition.

Physical review letters·2026

Same author

Impurity effects in nanotubes.

Journal of physics. Condensed matter : an Institute of Physics journal·2026

Same author

Explosive nucleation and growth of Pb islands on Ge(111) below room temperature via collective diffusion.

Journal of physics. Condensed matter : an Institute of Physics journal·2026

Same author

Strong optical absorption in cubic RaMS<sub>3</sub> chalcogenide perovskites for optoelectronic applications: a first-principles DFT study.

Physical chemistry chemical physics : PCCP·2026

Same author

Epidemiology of mpox outbreaks in Australia and insights from epidemic response and surveillance data: a mixed-methods study.

International journal of infectious diseases : IJID : official publication of the International Society for Infectious Diseases·2026

Same author

Machine learned potential for defected single layer hexagonal boron nitride.

The Journal of chemical physics·2026

Search research articles

Related Experiment Video

Updated: May 23, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

Dynamical mean-field theory for molecules and nanostructures.

Volodymyr Turkowski¹, Alamgir Kabir, Neha Nayyar

¹Department of Physics, University of Central Florida, Orlando, Florida 32816, USA. vturkows@ucf.edu

The Journal of Chemical Physics

|March 27, 2012

Summary

We present a Density-Functional Theory plus Dynamical Mean-Field Theory (DFT+DMFT) approach to accurately study magnetic properties in nanosystems. This method provides reliable results for small nanostructures, outperforming simpler models.

More Related Videos

Studying Dynamic Processes of Nano-sized Objects in Liquid using Scanning Transmission Electron Microscopy

Studying Dynamic Processes of Nano-sized Objects in Liquid using Scanning Transmission Electron Microscopy

Published on: February 5, 2017

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

Related Experiment Videos

Last Updated: May 23, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

Studying Dynamic Processes of Nano-sized Objects in Liquid using Scanning Transmission Electron Microscopy

Studying Dynamic Processes of Nano-sized Objects in Liquid using Scanning Transmission Electron Microscopy

Published on: February 5, 2017

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

Area of Science:

Condensed Matter Physics
Materials Science
Quantum Chemistry

Background:

Dynamical Mean-Field Theory (DMFT) is a robust method for studying electron correlation effects in solids and 2D systems.
Combining DMFT with Density-Functional Theory (DFT) has proven effective for materials with localized electronic states.
Recent advancements show DFT+DMFT is applicable to nanostructures, including magnetic properties.

Purpose of the Study:

To detail a proposed DFT+DMFT approach for investigating magnetic properties of nanosystems.
To apply this approach to analyze the magnetic characteristics of small iron-platinum (FePt) clusters.
To benchmark results against DFT+U for small iron (Fe) clusters and discuss limitations.

Main Methods:

Implementation of a Density-Functional Theory plus Dynamical Mean-Field Theory (DFT+DMFT) framework.
Application of the DFT+DMFT method to small FePt and Fe nanoclusters.
Comparative analysis with the DFT+U method to highlight differences in correlation effect treatment.

Main Results:

The DFT+DMFT approach yields meaningful results for the magnetic properties of small nanostructures.
DMFT accurately captures correlation effects in FePt clusters, even at the nanoscale.
The DFT+U method tends to overestimate correlation effects in nanostructures, similar to bulk systems.

Conclusions:

The developed DFT+DMFT approach is a viable and accurate tool for studying magnetic phenomena in nanosystems.
The study validates DMFT's efficacy for small systems and provides a benchmark against DFT+U.
Future work includes extending the DFT+DMFT method to molecular systems, nanoparticles on substrates, and non-equilibrium phenomena.