Understanding and enhancing polarization in complex materials

Recent advances in theoretical methods and high-performance computing allow for reliable first-principles investigations of complex materials. This article focuses on calculating and predicting the properties of piezoelectrics and "designing" new materials with enhanced piezoelectric respo...

Full description

Saved in:
Bibliographic Details
Published in:Computing in science & engineering 2004-11, Vol.6 (6), p.12-21
Main Authors: Bernholc, J., Nakhmanson, S.M., Nardelli, M.B., Meunier, V.
Format: Article
Language:English
Subjects:
Capacitive sensors
Computation
Crystalline materials
Electrons
Ferroelectric materials
Mathematical analysis
Nanotubes
Piezoelectric materials
Piezoelectric polarization
Piezoelectricity
Polarization
Polymers
Polyvinylidene fluorides
Pyroelectricity
Semiconductor materials
Stress
Wave functions
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Recent advances in theoretical methods and high-performance computing allow for reliable first-principles investigations of complex materials. This article focuses on calculating and predicting the properties of piezoelectrics and "designing" new materials with enhanced piezoelectric responses. This paper considers two systems: boron-nitride nanotubes (BNNTs) and polymers in the polyvinylidene fluoride (PVDF) family.
ISSN:1521-9615
1558-366X
DOI:10.1109/MCSE.2004.78