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Composition-dependent structural and polar properties of epitaxial short-period CaTiO_3/SrTiO_3/BaTiO_3 superlattices grown on a SrTiO_3 substrate are investigated with first-principles density-functional theory computational techniques.…

Materials Science · Physics 2009-12-16 Serge M. Nakhmanson , K. M. Rabe , David Vanderbilt

The spontaneous polarization of epitaxial BaTiO$_3$/SrTiO$_3$ superlattices is studied as a function of composition using first-principles density functional theory within the local density approximation. With the in-plane lattice parameter…

Materials Science · Physics 2009-11-07 J. B. Neaton , K. M. Rabe

Artificial PbTiO$_{3}$/SrTiO$_{3}$ superlattices were constructed using off-axis RF magnetron sputtering. X-ray diffraction and piezoelectric atomic force microscopy were used to study the evolution of the ferroelectric polarization as the…

Materials Science · Physics 2009-11-11 M. Dawber , C. Lichtensteiger , M. Cantoni , M. Veithen , P. Ghosez , K. Johnston , K. M. Rabe , J. -M. Triscone

Using effective-field theory with correlations, we investigate the effects of interfacial pseudo-spin coupling fluctuations on the susceptibility and polarization of ferroelectric superlattices within the framework of transverse Ising…

Materials Science · Physics 2009-11-10 Yin-Zhong Wu , Wei-Min Zhang , Ming-Rong Shen , Zhen-Ya Li

Ab initio calculations are utilized as an input to develop a simple model of polarization in epitaxial short-period CaTiO3/SrTiO3/BaTiO3 superlattices grown on a SrTiO3 substrate. The model is then combined with a genetic algorithm…

Materials Science · Physics 2009-12-16 Serge M. Nakhmanson , Karin Rabe , David Vanderbilt

Epitaxial interfaces and superlattices comprised of polar and non-polar perovskite oxides have generated considerable interest because they possess a range of desirable properties for functional devices. In this work, emergent polarization…

Short period ferroelectric/ferroelectric BaTiO3 (BTO)/PbTiO3 (PTO) superlattices are studied using density functional theory. Contrary to the trends in paraelectric/ferroelectric superlattices the polarization remains nearly constant for…

Materials Science · Physics 2012-03-12 Valentino R. Cooper , Karin M. Rabe

Using optical spectroscopy, we investigated the electrodynamic properties of Nb:SrTiO3/SrTiO3 superlattices. In these superlattices, a large enhancement of the Seebeck coefficient (S) has been reported with decreasing Nb:SrTiO3 layer…

Strongly Correlated Electrons · Physics 2010-07-09 Woo Seok Choi , Hiromichi Ohta , Soon Jae Moon , Yun Sang Lee , Tae Won Noh

We have fabricated PbTiO$_{3}$/SrRuO$_{3}$ superlattices with ultra-thin SrRuO$_{3}$ layers. Due to the superlattice geometry, the samples show a large anisotropy in their electrical resistivity, which can be controlled by changing the…

Materials Science · Physics 2015-06-03 S. J. Callori , J. Gabel , D. Su , J. Sinsheimer , M. V. Fernandez-Serra , M. Dawber

The coupling of ferroelectricity and magnetic order provides rich tunability for engineering material properties and demonstrates great potential for uncovering novel quantum phenomena and multifunctional devices. Here, we report…

We carry out first-principles calculations for CaTiO$_3$/BaTiO$_3$ superlattices with epitaxial strain corresponding to growth on a SrTiO$_3$ substrate, and consider octahedral rotations as well as ferroelectric distortions. The…

Materials Science · Physics 2015-05-19 Xifan Wu , Karin M. Rabe , David Vanderbilt

The electric and magnetic properties of (BaTiO$_3$)$_n$/(CaMnO$_3$)$_n$ short-period superlattices are studied by the first-principles calculations. The local electric polarizations in the CaMnO$_3$ layers are significant, comparable to…

Materials Science · Physics 2015-05-28 Hongwei Wang , Lixin He , Xifan Wu

Using first-principles density functional calculations, we study the interplay of ferroelectricity and polar discontinuities in a range of 1-1 oxide superlattices, built out of ferroelectric and paraelectric components. Studies have been…

Computational Physics · Physics 2015-05-18 Hena Das , Nicola A. Spaldin , Umesh V. Waghmare , T. Saha-Dasgupta

Using first-principles density functional theory, we investigate the interfacial magnetoelectric coupling in a tri-component superlattice composed of a ferromagnetic metal (FM), ferroelectric (FE), and normal metal (NM). Using Fe/FE/Pt as a…

Materials Science · Physics 2010-04-29 Jaekwang Lee , Na Sai , Tianyi Cai , Qian Niu , Alexander A. Demkov

The physics of oxide superlattices is considered for pristine (001) multilayers of the band insulators LaAlO3 and SrTiO3 with alternating p and n interfaces. First principles results and a model of capacitor plates offer a simple paradigm…

Mesoscale and Nanoscale Physics · Physics 2009-07-29 N. C. Bristowe , Emilio Artacho , P. B. Littlewood

Superlattices composed of ferromagnetic La0.6Sr0.4MnO3 and ferroelectric 0.7Pb(Mg0,33Nb0.66)O3 0.3(PbTiO3) layers were fabricated on (100) LaAlO3 substrates by pulsed laser deposition technique. Ferromagnetic and frequency independent…

Materials Science · Physics 2007-05-23 Ayan Roy Chaudhuri , R. Ranjith , S. B. Krupanidhi , R. V. K Mangalam , A. Sundaresan

Superlattices of correlated oxides have been used to explore interfacial effects and to achieve additional control over the physical properties of individual constituents. In this work, we present a first-principles perspective of the…

Strongly Correlated Electrons · Physics 2024-02-02 V. A. M. Lima , M. C. O. Aguiar , N. C. Plumb , M. Radovic , W. H. Brito

The electronic symmetry of the SrTiO3/LaAlO3 interface was investigated by optical second harmonic generation, using superlattices with varying periodicity to study the evolution of the electronic reconstruction while avoiding substrate…

Strongly Correlated Electrons · Physics 2009-02-03 N. Ogawa , K. Miyano , M. Hosoda , T. Higuchi , C. Bell , Y. Hikita , H. Y. Hwang

Interface engineering in perovskite oxide superlattices has developed into a flourishing field, enabling not only further tuning of the exceptional properties, but also giving access to emergent physical phenomena. Here, we reveal a new…

Materials Science · Physics 2015-03-13 X. Z. Lu , X. G. Gong , H. J. Xiang

Long-range effects on the pyroelectric coefficient of a ferroelectric superlattice consisting of two different ferroelectric materials are investigated based on the Transverse Ising Model. The effects of the interfacial coupling and the…

Materials Science · Physics 2018-01-17 Wen Dong , Dong-Lai Yao , Yin-Zhong Wu , Zhen-Ya Li
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