Surface relaxation in ferroelectric perovskites: An atomistic study

Simon Dorfman; Eugene Heifets; David Fuks; Eugene Kotomin; Joshua Felsteiner

Surface relaxation in ferroelectric perovskites: An atomistic study

Simon Dorfman, Eugene Heifets, David Fuks, Eugene Kotomin, Joshua Felsteiner

Research output: Contribution to journal › Conference article › peer-review

3 Scopus citations

Abstract

The effect of the [001] surface relaxation on the polarization of the paraelectric BaTiO₃ is simulated in the framework of the shell model. Our atomistic simulations show a large polarization of ions in the first several layers nearby the surface and confirm the possibility of co-existence of Ti-and Ba-terminated [001] BaTiO₃ surfaces which have very close surface energies.

Original language	English
Pages (from-to)	219-224
Number of pages	6
Journal	Materials Research Society Symposium - Proceedings
Volume	459
State	Published - 1 Jan 1997
Externally published	Yes
Event	Proceedings of the 1996 MRS Fall Symposium - Boston, MA, USA Duration: 2 Dec 1996 → 5 Dec 1996

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Cite this

@article{0ca69180f8134ecba1a327e53d515ebd,

title = "Surface relaxation in ferroelectric perovskites: An atomistic study",

abstract = "The effect of the [001] surface relaxation on the polarization of the paraelectric BaTiO3 is simulated in the framework of the shell model. Our atomistic simulations show a large polarization of ions in the first several layers nearby the surface and confirm the possibility of co-existence of Ti-and Ba-terminated [001] BaTiO3 surfaces which have very close surface energies.",

author = "Simon Dorfman and Eugene Heifets and David Fuks and Eugene Kotomin and Joshua Felsteiner",

year = "1997",

month = jan,

day = "1",

language = "English",

volume = "459",

pages = "219--224",

journal = "Materials Research Society Symposium - Proceedings",

issn = "0272-9172",

publisher = "Materials Research Society",

note = "Proceedings of the 1996 MRS Fall Symposium ; Conference date: 02-12-1996 Through 05-12-1996",

}

TY - JOUR

T1 - Surface relaxation in ferroelectric perovskites

T2 - Proceedings of the 1996 MRS Fall Symposium

AU - Dorfman, Simon

AU - Heifets, Eugene

AU - Fuks, David

AU - Kotomin, Eugene

AU - Felsteiner, Joshua

PY - 1997/1/1

Y1 - 1997/1/1

N2 - The effect of the [001] surface relaxation on the polarization of the paraelectric BaTiO3 is simulated in the framework of the shell model. Our atomistic simulations show a large polarization of ions in the first several layers nearby the surface and confirm the possibility of co-existence of Ti-and Ba-terminated [001] BaTiO3 surfaces which have very close surface energies.

AB - The effect of the [001] surface relaxation on the polarization of the paraelectric BaTiO3 is simulated in the framework of the shell model. Our atomistic simulations show a large polarization of ions in the first several layers nearby the surface and confirm the possibility of co-existence of Ti-and Ba-terminated [001] BaTiO3 surfaces which have very close surface energies.

UR - http://www.scopus.com/inward/record.url?scp=0030643880&partnerID=8YFLogxK

M3 - Conference article

AN - SCOPUS:0030643880

SN - 0272-9172

VL - 459

SP - 219

EP - 224

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

Y2 - 2 December 1996 through 5 December 1996

ER -

Surface relaxation in ferroelectric perovskites: An atomistic study

Abstract

ASJC Scopus subject areas

Other files and links

Fingerprint

Cite this