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

Metallic Solids02:37

Metallic Solids

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.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Theory of Metallic Conduction01:17

Theory of Metallic Conduction

The conduction of free electrons inside a conductor is best described by quantum mechanics. However, a classical model makes predictions close to the results of quantum mechanics. It is called the theory of metallic conduction.
In this theory, Newton's second law of motion is used to determine the acceleration of an electron in the presence of an applied electric field. Then, its velocity is expressed via this acceleration.
An electron moves through the crystal, containing positive ions,...
Metal-Semiconductor Junctions01:24

Metal-Semiconductor Junctions

The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
Schottky Barriers
Schottky barriers arise when a metal with a work function (Φm) contacts a semiconductor with a different work function (Φs). Initially, electrons transfer until the Fermi levels of the metal and semiconductor align at equilibrium. For instance, if Φm > Φs, the semiconductor Fermi level is higher than the metal's before contact. The semiconductor's...
Biasing of Metal-Semiconductor Junctions01:27

Biasing of Metal-Semiconductor Junctions

Biasing metal-semiconductor junctions involves applying a voltage across the junction. Specifically, the metal is connected to a voltage source, while the semiconductor is grounded. This technique is essential for controlling the direction and magnitude of current flow in electronic devices, including diodes, transistors, and photovoltaic cells.
In Schottky junctions, where the semiconductor is n-type, applying a positive voltage to the metal relative to the semiconductor reduces its Fermi...
Imperfections in Crystal Structure: Stoichiometric Point Defects01:26

Imperfections in Crystal Structure: Stoichiometric Point Defects

Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...
Imperfections in Crystal Structure: Non-Stoichiometric Defects01:29

Imperfections in Crystal Structure: Non-Stoichiometric Defects

Non-stoichiometric defects refer to a type of defect in the crystal structure of a compound where the ratio of its constituent elements deviates from the ideal stoichiometric ratio. There are two main types of non-stoichiometric defects: metal excess defects and metal deficiency defects.Metal excess defects occur when there is a slight surplus of metal ions than what is required by the stoichiometric ratio of the compound. For example, heating a sodium chloride crystal in sodium vapor results...

You might also read

Related Articles

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

Sort by
Same author

26. Incidental findings should be included in the analysis of cost-effectiveness for evaluation of pulmonary nodules by FDG-PET.

Clinical positron imaging : official journal of the Institute for Clinical P.E.T·2001
Same author

A Scientific Evaluation of Health Effects of Two Plasticizers Used in Medical Devices and Toys: A Report from the American Council on Science and Health.

MedGenMed : Medscape general medicine·2000
Same author

Hall effect in the normal phase of the organic superconductor (TMTSF)2PF6

Physical review letters·2000
Same author

Charge ordering in the TMTTF family of molecular conductors

Physical review letters·2000
Same author

High-Resolution UV Laser Spectroscopy of Jet-Cooled Benzene Molecules: Complete Rotational Analysis of the S1 <-- S0 6(1)0 (l = +/-1) Band.

Journal of molecular spectroscopy·1999
Same author

Hyperfine Constants and Nuclear Shieldings from the Microwave Spectra of FBO, ClBO, and FBS.

Journal of molecular spectroscopy·1998

Related Experiment Video

Updated: Jul 24, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

First principles simulation of a ceramic /Metal interface with misfit

Benedek1, Alavi, Seidman

  • 1Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA.

Physical Review Letters
|October 6, 2000
PubMed
Summary

This study simulated the MgO/Cu ceramic/metal interface structure and bonding using advanced computational methods. Results show atomic layers adjust to optimize bonding, influencing the interface

More Related Videos

Fused Filament Fabrication (FFF) of Metal-Ceramic Components
08:43

Fused Filament Fabrication (FFF) of Metal-Ceramic Components

Published on: January 11, 2019

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Related Experiment Videos

Last Updated: Jul 24, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

Fused Filament Fabrication (FFF) of Metal-Ceramic Components
08:43

Fused Filament Fabrication (FFF) of Metal-Ceramic Components

Published on: January 11, 2019

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Area of Science:

  • Materials Science
  • Computational Materials Science
  • Surface Science

Background:

  • Understanding ceramic/metal interfaces is crucial for designing advanced materials.
  • Simulating interfaces requires accurate atomic structure and bonding models.
  • Lattice mismatch is a key factor influencing interface properties.

Purpose of the Study:

  • To simulate the relaxed atomic structure of a model ceramic/metal interface (MgO/Cu).
  • To investigate the impact of lattice mismatch on interface properties.
  • To calculate the interface adhesive energy and analyze its electronic structure.

Main Methods:

  • First-principles local-density functional theory (LDFT) using plane wave pseudopotential methods.
  • Simulation of a 399-atom computational unit cell with specific MgO and Cu atom ratios.
  • Analysis of atomic layer relaxation and interface electronic structure.

Main Results:

  • The atomic layers at the MgO/Cu interface warp to optimize local bonding.
  • The interface adhesive energy was calculated, quantifying bonding strength.
  • Significant variations in interface electronic structure were observed based on the local atomic environment.

Conclusions:

  • The simulation provides insights into the atomic and electronic structure of ceramic/metal interfaces.
  • Atomic relaxation plays a key role in optimizing bonding at interfaces with lattice mismatch.
  • The findings contribute to the fundamental understanding of material interfaces for potential applications.