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Related Concept Videos

Semiconductors01:22

Semiconductors

There is variation in the electrical conductivity of materials - metals, semiconductors, and insulators that are showcased with the help of the energy band diagrams.
Metals such as copper (Cu), zinc (Zn), or lead (Pb) have low resistivity and feature conduction bands that are either not fully occupied or overlap with the valence band, making a bandgap non-existent. This allows electrons in the highest energy levels of the valence band to easily transition to the conduction band upon gaining...
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...
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra. Schrödinger...
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...
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,...
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,...

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Related Experiment Video

Updated: May 31, 2026

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
11:33

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics

Published on: January 19, 2018

Density functional theory and beyond-opportunities for quantum methods in materials modeling semiconductor

Sadasivan Shankar1, Harsono Simka, Michael Haverty

  • 1Process Technology Modeling, Design and Technology Solutions, Technology and Manufacturing Group, Intel Corporation, 2200 Mission College Boulevard, Santa Clara, California-95052, USA.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|June 23, 2011
PubMed
Summary

Density functional theory (DFT) is increasingly used in semiconductor process development. This study explores DFT applications for complex material interactions and proposes its expanded use in optimizing semiconductor manufacturing.

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Last Updated: May 31, 2026

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
11:33

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Published on: January 19, 2018

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

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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:

  • Materials Science
  • Computational Physics
  • Semiconductor Engineering

Background:

  • Nanotechnology advancements drive the use of novel materials in semiconductors.
  • Decreasing critical dimensions and increasing material diversity complicate material interactions and processing.
  • Traditional ab initio methods are limited to bulk material properties, not complex process interactions.

Purpose of the Study:

  • To illustrate the application of Density Functional Theory (DFT) in semiconductor processes.
  • To explore the potential of DFT in addressing complex material interactions during semiconductor manufacturing.
  • To propose further opportunities for DFT utilization in semiconductor process development.

Main Methods:

  • Utilizing ab initio techniques, specifically Density Functional Theory (DFT).
  • Applying DFT to analyze electronic structure and band gap calculations for bulk materials.
  • Extending DFT applications beyond traditional uses to encompass semiconductor processes.

Main Results:

  • Demonstrated successful application of DFT to semiconductor processes.
  • Highlighted the complexity arising from heterogeneous material interactions and processing.
  • Identified areas where DFT can provide deeper insights into material behavior during fabrication.

Conclusions:

  • Density Functional Theory (DFT) offers significant potential for advancing semiconductor process development.
  • Further integration of DFT can lead to optimized material selection and processing strategies.
  • DFT can help manage the increasing complexity of semiconductor manufacturing with novel materials.