Graduate Thesis Or Dissertation

 

An Ising-like model to predict dielectric properties of the relaxor ferroelectric solid solution BaTiO3 - Bi(Zn1/2Ti1/2)O3 公开 Deposited

An Ising-like model to predict dielectric properties of the relaxor ferroelectric solid solution BaTiO₃ − Bi(Zn₁/₂Ti₁/₂)O₃

可下载的内容

下载PDF文件
https://ir.library.oregonstate.edu/concern/graduate_thesis_or_dissertations/gh93h374v

Descriptions

Attribute NameValues
Creator
Abstract
  • We developed a model to investigate the dielectric properties of the BaTiO₃ − Bi(Zn₁/₂Ti₁/₂)O₃ (BT-BZT) solid solution, which is a relaxor ferroelectric and exhibits long range disorder. The model uses ab initio methods to determine all polarization states for every atomic configuration of 2 x 2 x 2 supercells of BT-BZT. Each supercell is placed on a lattice with an Ising-like interaction between neighboring cell polarizations. This method allows us to consider long range disorder, which is not possible with ab initio methods alone, and is required to properly understand relaxor ferroelectric materials. We analyze the Monte Carlo data for a single lattice configuration using the multiple histogram method, and develop a modified histogram technique to combine data from multiple lattice configurations. Our calculated values of dielectric constant, specific heat, and polarization agree reasonably well with experiment.
License
Resource Type
Date Available
Date Issued
Degree Level
Degree Name
Degree Field
Degree Grantor
Commencement Year
Advisor
Committee Member
Academic Affiliation
Non-Academic Affiliation
Subject
权利声明
Publisher
Peer Reviewed
Language
Replaces

关联

Parents:

This work has no parents.

属于 Collection:

单件