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

Fermi Level Dynamics01:12

Fermi Level Dynamics

The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
Fermi Level01:18

Fermi Level

The Fermi-Dirac function is represented by an S-shaped curve indicating the probability of an energy state being occupied by an electron at a given temperature. The Fermi level is the energy level at which there is a fifty percent chance of finding an electron, and it is positioned between the lower-energy valence band and the higher-energy conduction band.
At absolute zero temperature, electrons fill all energy states up to the Fermi level, leaving upper states empty. As the temperature rises,...
Energy Bands in Solids01:01

Energy Bands in Solids

Isolated atoms have discrete energy levels that are well described by the Bohr model. And, it quantifies the energy of an electron in a hydrogen atom as En. Higher quantum numbers 'n' yield less negative, closer electron energy levels.
 Band Formation:
When atoms are brought close together, as in a solid, these discrete energy levels begin to split due to the overlap of electron orbitals from adjacent atoms. This split occurs because of the Pauli exclusion principle, which states that no two...
Band Theory02:35

Band Theory

When two or more atoms come together to form a molecule, their atomic orbitals combine and molecular orbitals of distinct energies result. In a solid, there are a large number of atoms, and therefore a large number of atomic orbitals that may be combined into molecular orbitals. These groups of molecular orbitals are so closely placed together to form continuous regions of energies, known as the bands.
The energy difference between these bands is known as the band gap.
Conductor, Semiconductor,...
Debye–Huckel–Onsager Conductance Equation01:28

Debye–Huckel–Onsager Conductance Equation

The Debye-Hückel-Onsager equation is a cornerstone of physical chemistry, providing a method to determine the molar conductance (Λm) and molar conductance at infinite dilution (Λ°m) for uni-univalent electrolytes.Uni-univalent electrolytes are electrolytes that dissociate in solution to produce one cation with a +1 charge and one anion with a –1 charge per formula unit.This equation addresses two crucial phenomena: the asymmetry effect and the electrophoretic effect. According to this equation,...
Molecular and Ionic Solids02:54

Molecular and Ionic Solids

Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...

You might also read

Related Articles

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

Sort by
Same author

Electron pairing and chemical bonds: Bonding in hypervalent molecules from analysis of Fermi holes.

Journal of computational chemistry·2022
Same author

Interacting Quantum Atoms Method for Crystalline Solids.

The journal of physical chemistry. A·2021
Same author

Are Multicentre Bond Indices and Related Quantities Reliable Predictors of Excited-State Aromaticity?

Molecules (Basel, Switzerland)·2020
Same author

Theoretical investigations of the chemical bonding in MM'O<sub>2</sub> clusters (M, M' = Be, Mg, Ca).

Journal of molecular modeling·2018
Same author

Electronic Structure and Bonding Situation in M<sub>2</sub>O<sub>2</sub> (M = Be, Mg, Ca) Rhombic Clusters.

The journal of physical chemistry. A·2018
Same author

Synthesis of a Cu-Filled Rh<sub>17</sub>S<sub>15</sub> Framework: Microwave Polyol Process Versus High-Temperature Route.

Inorganic chemistry·2017
Same journal

Metastable excited states of iodide-alkyl halide cluster anions: Insights from photodetachment spectroscopy and non-Hermitian quantum chemistry.

The Journal of chemical physics·2026
Same journal

Pressure-induced thermal expansion anomalies in dhcp iron hydride associated with magnetoelastic coupling.

The Journal of chemical physics·2026
Same journal

Seniority eigenstate configuration interaction.

The Journal of chemical physics·2026
Same journal

A data-driven modeling study on the accurate identification of Doppler-free saturated absorption spectra in diatomic tellurium (130Te2).

The Journal of chemical physics·2026
Same journal

Anharmonic phonons via quantum thermal bath simulations.

The Journal of chemical physics·2026
Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026
See all related articles

Related Experiment Video

Updated: May 16, 2026

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

Domain-averaged Fermi-hole analysis for solids.

Alexey I Baranov1, Robert Ponec, Miroslav Kohout

  • 1Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Strasse 40, 01187 Dresden, Germany. baranov@cpfs.mpg.de

The Journal of Chemical Physics
|December 13, 2012
PubMed
Summary
This summary is machine-generated.

Domain-averaged Fermi hole (DAFH) orbitals now visualize bonding in extended systems. This method reveals insights into chemical bonding across various materials, including solids and metals.

More Related Videos

Angle-resolved Photoemission Spectroscopy At Ultra-low Temperatures
08:53

Angle-resolved Photoemission Spectroscopy At Ultra-low Temperatures

Published on: October 9, 2012

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis
07:24

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis

Published on: May 10, 2021

Related Experiment Videos

Last Updated: May 16, 2026

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

Angle-resolved Photoemission Spectroscopy At Ultra-low Temperatures
08:53

Angle-resolved Photoemission Spectroscopy At Ultra-low Temperatures

Published on: October 9, 2012

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis
07:24

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis

Published on: May 10, 2021

Area of Science:

  • Solid-state Chemistry
  • Computational Materials Science
  • Quantum Chemistry

Background:

  • Domain-averaged Fermi hole (DAFH) orbitals offer visual bonding insights in molecular systems.
  • Previous applications focused on molecular systems, leaving extended periodic systems unexplored.

Purpose of the Study:

  • Extend DAFH analysis to extended periodic systems for the first time.
  • Develop an analytical model for DAFH orbitals in single-band solids.
  • Analyze the relationship between Wannier and DAFH orbitals.

Main Methods:

  • Introduced a simple analytical model for DAFH orbitals in single-band solids.
  • Performed Density Functional Theory (DFT) calculations for various extended systems.
  • Analyzed DAFH orbitals for hydrogen lattices, diamond, graphite, Na, Cu, and NaCl.

Main Results:

  • DAFH analysis successfully extended to extended periodic systems.
  • Analytical model accurately predicted DAFH orbital features for hydrogen lattices.
  • DAFH orbitals provided consistent bonding descriptions for ionic and covalent solids.
  • Analysis revealed the multicenter nature of bonding in metals.

Conclusions:

  • DAFH analysis is a valuable tool for understanding bonding in extended systems.
  • The method complements classical orbital interpretations and reveals complex bonding in metals.
  • This work opens new avenues for visualizing chemical bonding in diverse materials.