Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session H71: Poster Session I (2:00pm - 4:00pm)
2:00 PM,
Tuesday, March 16, 2021
Abstract: H71.00315 : Accurate semiempirical analytical formulas for spontaneous polarization by crystallographic parameters of SrTiO3-BaTiO3 system*
(Author Not Attending)
Presenter:
Yukio Watanabe
(Kyushu Univ)
Author:
Yukio Watanabe
(Kyushu Univ)
This uncovers accurate simple easy-to-use analytical formulas of PS of STO-BTO system; The formulas express STO, BTO, and both ordered and disordered STO-BTO alloys much better than conventional Born effective charge approaches. The accuracy of the formulas is demonstrated by the application to experiments, STO-BTO (-CaTiO3) alloys, Sr4Ti4O12 with PS // a-axis, a parallel domain, and a headon domain.
In addition, the present results verify empirically that oxygen displacement is the primary identifier and the origin of PS of STO and BTO and indicate that BTO and STO may transforms into new state by an extremely large strain, e.g., −3%.The present procedures for finding formulas can be applied also to other materials.
Y. Watanabe, Comput. Mater. Sci. 158, 315 (2019).
*JSPS KAKENHI No. JP19K21853 is acknowledged.
Follow Us |
Engage
Become an APS Member |
My APS
Renew Membership |
Information for |
About APSThe American Physical Society (APS) is a non-profit membership organization working to advance the knowledge of physics. |
© 2024 American Physical Society
| All rights reserved | Terms of Use
| Contact Us
Headquarters
1 Physics Ellipse, College Park, MD 20740-3844
(301) 209-3200
Editorial Office
100 Motor Pkwy, Suite 110, Hauppauge, NY 11788
(631) 591-4000
Office of Public Affairs
529 14th St NW, Suite 1050, Washington, D.C. 20045-2001
(202) 662-8700