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

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

http://ir.library.oregonstate.edu/concern/graduate_thesis_or_dissertations/gh93h374v

Descriptions

Attribute NameValues
Creator
Abstract or Summary
  • 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.
Resource Type
Date Available
Date Copyright
Date Issued
Degree Level
Degree Name
Degree Field
Degree Grantor
Commencement Year
Advisor
Committee Member
Academic Affiliation
Non-Academic Affiliation
Keyword
Subject
Rights Statement
Peer Reviewed
Language
Replaces
Additional Information
  • description.provenance : Made available in DSpace on 2011-12-22T18:55:01Z (GMT). No. of bitstreams: 1 JacksonDennisL2011.pdf: 2048654 bytes, checksum: 91b07c60cb23dd149bb9f396e60e1af8 (MD5) Previous issue date: 2011-12-01
  • description.provenance : Approved for entry into archive by Julie Kurtz(julie.kurtz@oregonstate.edu) on 2011-12-19T19:43:55Z (GMT) No. of bitstreams: 1 JacksonDennisL2011.pdf: 2048654 bytes, checksum: 91b07c60cb23dd149bb9f396e60e1af8 (MD5)
  • description.provenance : Approved for entry into archive by Laura Wilson(laura.wilson@oregonstate.edu) on 2011-12-22T18:55:01Z (GMT) No. of bitstreams: 1 JacksonDennisL2011.pdf: 2048654 bytes, checksum: 91b07c60cb23dd149bb9f396e60e1af8 (MD5)
  • description.provenance : Submitted by Dennis Jackson (jacksode@onid.orst.edu) on 2011-12-15T23:23:28Z No. of bitstreams: 1 JacksonDennisL2011.pdf: 2048654 bytes, checksum: 91b07c60cb23dd149bb9f396e60e1af8 (MD5)

Relationships

In Administrative Set:
Last modified: 10/21/2017

Downloadable Content

Download PDF
Citations:

EndNote | Zotero | Mendeley

Items