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Related Concept Videos

Carrier Transport01:21

Carrier Transport

The generation of electrical current in semiconductors is fundamentally driven by two mechanisms: drift and diffusion. These processes are essential for the functionality and performance of semiconductor-based devices.
Drift Current:
The drift of charge carriers is started by an external electric field (E). Charged particles, such as electrons and holes, experience an acceleration between collisions with lattice atoms. For electrons, this results in a drift velocity (vd) given by:
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,...
The de Broglie Wavelength02:32

The de Broglie Wavelength

In the macroscopic world, objects that are large enough to be seen by the naked eye follow the rules of classical physics. A billiard ball moving on a table will behave like a particle; it will continue traveling in a straight line unless it collides with another ball, or it is acted on by some other force, such as friction. The ball has a well-defined position and velocity or well-defined momentum, p = mv, which is defined by mass m and velocity v at any given moment. This is the typical...
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...
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.
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The Integrated Rate Law: The Dependence of Concentration on Time02:39

The Integrated Rate Law: The Dependence of Concentration on Time

While the differential rate law relates the rate and concentrations of reactants, a second form of rate law called the integrated rate law relates concentrations of reactants and time. Integrated rate laws can be used to determine the amount of reactant or product present after a period of time or to estimate the time required for a reaction to proceed to a certain extent. For example, an integrated rate law helps determine the length of time a radioactive material must be stored for its...

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Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
05:39

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Published on: August 2, 2019

Time-dependent density functional theory for quantum transport.

Xiao Zheng1, GuanHua Chen, Yan Mo

  • 1Department of Chemistry, The Hong Kong University of Science and Technology, Hong Kong.

The Journal of Chemical Physics
|September 28, 2010
PubMed
Summary
This summary is machine-generated.

We developed a new method combining time-dependent density functional theory and quantum dissipation theory to simulate electronic systems. This approach enables accurate study of transient dynamics in nanoscopic devices.

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Area of Science:

  • Condensed Matter Physics
  • Quantum Chemistry
  • Materials Science

Background:

  • Accurate simulation of electronic systems is crucial for understanding quantum transport phenomena.
  • Previous works laid the foundation for first-principles simulations of quantum transport.

Purpose of the Study:

  • To propose a rigorous and numerically convenient approach for simulating time-dependent quantum transport from first-principles.
  • To develop a practical tool for studying the transient dynamics of electronic systems.

Main Methods:

  • Combining time-dependent density functional theory (TDDFT) with quantum dissipation theory.
  • Developing practical simulation schemes within an exact theoretical framework.
  • Analyzing computational cost and accuracy for different schemes.

Main Results:

  • A novel theoretical framework for simulating time-dependent quantum transport.
  • Practical schemes suitable for realistic nanoscopic electronic devices.
  • Demonstration of transient current response in a carbon nanotube device.

Conclusions:

  • The proposed approach offers a powerful tool for investigating the dynamics of electronic systems.
  • The developed schemes provide a balance between accuracy and computational efficiency.
  • This work facilitates the study of complex quantum transport phenomena in nanoscale devices.