First-principles study of structural instability and polarization in BaTiO3/SrTiO3 superlattice

Autor:	Wang Hai, Zhu Zhen-Ye, Li Chen-Liang, Li Qing-Kun, Wang Biao, Zheng Yue
Rok vydání:	2007
Předmět:	Condensed Matter::Quantum Gases Stress (mechanics) Condensed Matter::Materials Science Materials science Condensed matter physics Superlattice Atom Lattice distortion General Physics and Astronomy Charge (physics) Polarization (waves) Instability Displacement (vector)
Zdroj:	Acta Physica Sinica. 56:5986
ISSN:	1000-3290
DOI:	10.7498/aps.56.5986
Popis:	We investigated structural instability and polarization of BaTiO3/SrTiO3 superlattice under stress by using first-principles calculation. Our results show that stress induces lattice distortion and charge transfer between Ti atom and O atom. With stress increasing，atomic displacement in BaTiO3/SrTiO3 superlattice grows gradually，resulting in the enhancement of polarization. Furthermore，polarization of superlattice BaTiO3/SrTiO3 can be controlled by changing the stress.
Databáze:	OpenAIRE
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