Polarization enhancement in two- and three-component ferroelectric superlattices

被引：109

作者：

Nakhmanson, SM ^{[1
]}

Rabe, KM ^{[1
]}

Vanderbilt, D ^{[1
]}

机构：

[1] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA

来源：

APPLIED PHYSICS LETTERS | 2005年 / 87卷 / 10期

关键词：

D O I：

10.1063/1.2042630

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Composition-dependent structural and polar properties of epitaxial short-period CaTiO3/-SrTiO3/BaTiO3 superlattices grown on a SrTiO3 substrate are investigated with first-principles density-functional theory computational techniques. Polarization enhancement with respect to bulk tetragonal BaTiO3 is found for two- and three-component superlattices with a BaTiO3 concentration of more than 30%. Individual BaTiO3 layer thickness is identified as an important factor governing the polarization improvement. In addition, the degree of inversion-symmetry breaking in three-component superlattices can be controlled by varying the thicknesses of the component layers. The flexibility allowed within this large family of structures makes them highly suitable for various applications in modern nanoelectromechanical devices. (c) 2005 American Institute of Physics.

引用

页数：3

共 13 条

[1] Phonons and related crystal properties from density-functional perturbation theory [J].

Baroni, S ;

de Gironcoli, S ;

Dal Corso, A ;

Giannozzi, P .

REVIEWS OF MODERN PHYSICS, 2001, 73 (02) :515-562

[2] Enhancement of ferroelectricity in strained BaTiO3 thin films [J].

Choi, KJ ;

Biegalski, M ;

Li, YL ;

Sharan, A ;

Schubert, J ;

Uecker, R ;

Reiche, P ;

Chen, YB ;

Pan, XQ ;

Gopalan, V ;

Chen, LQ ;

Schlom, DG ;

Eom, CB .

SCIENCE, 2004, 306 (5698) :1005-1009

[3]

DIEGUEZ O, IN PRESS PHYS REV B

[4] THEORY OF POLARIZATION OF CRYSTALLINE SOLIDS [J].

KINGSMITH, RD ;

VANDERBILT, D .

PHYSICAL REVIEW B, 1993, 47 (03) :1651-1654

[5]

Lee H., COMMUNICATION

[6] Strong polarization enhancement in asymmetric three-component ferroelectric superlattices [J].

Lee, HN ;

Christen, HM ;

Chisholm, MF ;

Rouleau, CM ;

Lowndes, DH .

NATURE, 2005, 433 (7024) :395-399

[7] SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS [J].

CHADI, DJ .

PHYSICAL REVIEW B, 1977, 16 (04) :1746-1747

[8]

NAKHMANSON SM, IN PRESS PHYS REV B

[9] Theory of polarization enhancement in epitaxial BaTiO3/SrTiO3 superlattices [J].

Neaton, JB ;

Rabe, KM .

APPLIED PHYSICS LETTERS, 2003, 82 (10) :1586-1588

[10] Compositional inversion symmetry breaking in ferroelectric perovskites [J].

Sai, N ;

Meyer, B ;

Vanderbilt, D .

PHYSICAL REVIEW LETTERS, 2000, 84 (24) :5636-5639

← 1 2 →