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Dielectric Polarization in a Capacitor

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The presence of a dielectric medium in a capacitor not only changes the voltage and capacitance but also affects the electric field. In general, dielectrics can be of two types: polar and nonpolar. In a polar dielectric, the positive and negative charges in the molecules are separated by a distance and hence have a permanent dipole moment. In contrast, no such charge separation exists in a nonpolar dielectric, however the nonpolar molecules get polarized in the presence of an external electric...

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Parallel plate capacitors consist of two conducting plates separated by a certain distance. However, it is mechanically difficult to hold the large plates parallel to each other without actual contact. Hence, a dielectric layer is commonly placed between the plates, which provides an easy solution for holding the plates together with a small gap and increases the capacitance of the capacitor.
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Updated: Oct 29, 2025

In Situ Time-dependent Dielectric Breakdown in the Transmission Electron Microscope: A Possibility to Understand the Failure Mechanism in Microelectronic Devices

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LayerPCM: An implicit scheme for dielectric screening from layered substrates.

Jannis Krumland¹, Gabriel Gil², Stefano Corni²

¹Physics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, 12489 Berlin, Germany.

The Journal of Chemical Physics

|July 9, 2021

Summary

This summary is machine-generated.

LayerPCM accurately models molecule-substrate interactions using polarizable continuum theory and real-time time-dependent density-functional theory. This method simulates ultrafast molecular dynamics influenced by multilayered dielectric substrates.

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Area of Science:

Computational Chemistry
Materials Science
Quantum Mechanics

Background:

Accurate modeling of molecule-surface interactions is crucial for understanding physisorption and surface chemistry.
Existing methods struggle to capture the complex electrostatic effects in multilayered dielectric systems.

Purpose of the Study:

To develop an efficient and accurate computational method for describing electrostatic interactions between molecules and multilayered dielectric substrates.
To enable simulations of ultrafast molecular dynamics influenced by nano-engineered surfaces.

Main Methods:

Extension of the polarizable continuum model (LayerPCM) coupled to real-time time-dependent density-functional theory (RT-TDDFT).
Modeling quantum-mechanically interacting molecules with anisotropic, multilayered dielectric continua.
Incorporation of Fresnel-reflected electric fields for simulating laser-induced dynamics.

Main Results:

LayerPCM accurately describes polarization-induced renormalization of adsorbate energy levels.
The method simulates ultrafast molecular dynamics, including effects of complex reflected fields from substrates.
Observed strong delayed fields and interference effects analogous to multi-pulse spectroscopy.

Conclusions:

LayerPCM provides a robust and versatile tool for studying molecule-multilayered dielectric interactions.
The approach is suitable for complex hybrid heterostructures and nano-engineered substrates.
Enables deeper insights into light-induced charge carrier dynamics in molecular systems.