380121

Modeling of Ferroelectric, Semiconducting and Superconducting Perovskite Oxides Using Crystalline Accommodation Law

Article

Last updated: 04 Jan 2025

Subjects

-

Tags

Mathematics & computer sciences and physics.

Abstract

Perovskite oxides are very important materials for different applications because they have a variety of very interesting properties such as ferroelectric, antiferroelectric, ferromagnetic, antiferromagnetic, semiconducting and superconducting at low temperature. Since the success of crystalline accommodation law (CAL) in modeling perovskite halides, we aim in this work to use CAL for modeling perovskite oxides. Here we show that a perfect agreement with the results obtained for halides perovskite as the following: all perovskite oxides are formed at VEC = 4.8 and most of them crystallize in three systems; cubic, hexagonal and orthorhombic with the number of filled zones in the valence band respectively. It is also found that the dielectric ferroelectric perovskite oxides have the orthorhombic structure of primitive cell volume (VP) ranges from 143.58 to 286.93 Å3 corresponding to the volume of Brillouin zone (VB , volume of quantum state) ranges from 0.86 to 1.72 Å-3. On average, this is the smallest volume of quantum state. In the case of perovskite oxides, that can be converted into superconductor at low temperature, have cubic structure with VP ranges from 52.73 to 68.61 Å3 corresponding to VB ranges from 3.61 to 4.70 Å-3. On average, this is the largest volume of quantum state for example the compound SrTiO3. In between it is found that the compounds which have hexagonal structure are semiconducting with VP ranges from 108.73 to 130.43 Å3 corresponding to VB ranges from 1.90 to 2.28 Å-3. On the average, this is intermediate between orthorhombic and cubic.

DOI

10.21608/ajbas.2024.316385.1228

Keywords

Perovskite oxides, Brillouin zone, Valence electron concentration, Crystalline accommodation law, Volume of quantum state

Authors

First Name

Tarek

Last Name

El Ashram

MiddleName

-

Affiliation

Physics Department, Faculty of Science, Port Said University, Port Said, Egypt

Email

tnelashram@gmail.com

City

-

Orcid

-

First Name

eman

Last Name

El esh

MiddleName

-

Affiliation

Physics Department, Faculty of Science, Port Said University, Port Said, Egypt

Email

eman_phs@yahoo.com

City

port said

Orcid

-

First Name

Zeinab

Last Name

Mohammed

MiddleName

-

Affiliation

Physics Department, Faculty of Science, Port Said University, Port Said, Egypt

Email

dr.zienb@yahoo.com

City

-

Orcid

-

First Name

Ansam

Last Name

Ellotah

MiddleName

Gaber

Affiliation

Physics Department, Faculty of Science, Port Said University, Port Said, Egypt

Email

ansamgaber@sci.psu.edu.eg

City

-

Orcid

-

Volume

5

Article Issue

4

Related Issue

50702

Issue Date

2024-10-01

Receive Date

2024-08-28

Publish Date

2024-10-01

Page Start

573

Page End

582

Online ISSN

2682-275X

Link

https://ajbas.journals.ekb.eg/article_380121.html

Detail API

https://ajbas.journals.ekb.eg/service?article_code=380121

Order

10

Type

Original Article

Type Code

947

Publication Type

Journal

Publication Title

Alfarama Journal of Basic & Applied Sciences

Publication Link

https://ajbas.journals.ekb.eg/

MainTitle

Modeling of Ferroelectric, Semiconducting and Superconducting Perovskite Oxides Using Crystalline Accommodation Law

Details

Type

Article

Created At

24 Dec 2024