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By employing first-principles electronic structure calculations we investigate nickelate superlattices [LaNiO$_3$]$_1$/[LaAlO$_3$]$_1$ and [LaNiO$_3$]$_1$/[SrTiO$_3$]$_1$ with (001) orientation under epitaxial tensile strain. Within density…

强关联电子 · 物理学 2023-04-12 Heung-Sik Kim , Sang Hyeon Park , Myung Joon Han

(LaNiO3)n/(SrMnO3)2 superlattices were grown using ozone-assisted molecular beam epitaxy. In situ reflection high energy electron diffraction and x-ray scattering has been used to characterize the structural properties of the superlattices,…

材料科学 · 物理学 2009-11-13 S. J. May , T. S. Santos , A. Bhattacharya

The effect of layer-by-layer heterostructuring and epitaxial strain on lattice instabilities and related ferroelectric properties is investigated from first principles for the [001]-(PbTiO$_3$)$_1$(PbZrO$_3$)$_1$ superlattice and pure…

材料科学 · 物理学 2009-11-10 Claudia Bungaro , K. M. Rabe

The electronic and magnetic properties of epitaxial LaNiO3/LaAlO3 superlattices can be tuned by layer thickness and substrate-induced strain. Here, we report on direct measurements of the k-space-resolved electronic structure of buried…

Ultrathin epitaxial films of EuNiO3 were grown on a series of substrates traversing highly compressive (- 2.4%) to highly tensile (2.5%) lattice mismatch. X-ray diffraction measurements showed the expected c-lattice parameter shift for…

强关联电子 · 物理学 2014-04-25 D. Meyers , S. Middey , M. Kareev , M. van Veenendaal , E. J. Moon , B. A. Gray , J. W. Freeland , J. Chakhalian

A combined analysis of x-ray absorption and resonant reflectivity data was used to obtain the orbital polarization profiles of superlattices composed of four-unit-cell-thick layers of metallic LaNiO3 and layers of insulating RXO3 (R=La, Gd,…

Nickelates are known for their metal to insulator transition (MIT) and an unusual magnetic ordering, occurring at T=T_N\'eel. Here, we investigate thin films of SmNiO_3 subjected to different levels of epitaxial strain. We find that the…

Epitaxial strain, layer confinement and inversion symmetry breaking have emerged as powerful new approaches to control the electronic and atomic-scale structural properties in complex metal oxides. Nickelate heterostructures, based on…

Heterostructure engineering provides an efficient way to obtain several unconventional phases of LaNiO3, which is otherwise paramagnetic, metallic in bulk form. In this work, a new class of short periodic superlattices, consisting of LaNiO3…

强关联电子 · 物理学 2019-10-18 S. Middey , Ranjan Kumar Patel , D. Meyers , Xiaoran Liu , M. Kareev , P. Shafer , J. -W. Kim , P. J. Ryan , J. Chakhalian

Ultra-thin tri-color (tri-layer) titanate superlattices ([3u.c. LaTiO3/2u.c. SrTiO3/3u.c. YTiO3], u.c. = unit cells) were grown in a layer-by-layer way on single crystal TbScO3 (110) substrates by pulsed laser deposition. High sample…

强关联电子 · 物理学 2013-12-11 M. Kareev , Yanwei Cao , Xiaoran Liu , S. Middey , D. Meyers , J. Chakhalian

The effect of epitaxial strain on the phonon spectra, crystal structure, spontaneous polarization, dielectric, piezoelectric, and elastic properties of (001)-oriented ferroelectric (BaTiO$_3$)$_m$/(SrTiO$_3$)$_n$ superlattices ($m = n =…

材料科学 · 物理学 2016-07-11 Alexander I. Lebedev

By means of first-principles electronic structure calculations, we hereby investigate the structural transitions induced by epitaxial strain in (111)-oriented (LaMnO$_3$)$_{2n}|$(SrMnO$_3$)$_n$ superlattices, with $n=2,4,6$. All…

材料科学 · 物理学 2026-03-04 Imran Ahamed , Shivalika Sharma , Fabrizio Cossu , Igor Di Marco

Using first-principles density functional theory calculations, we examined the ground state property of LaTiO$_3$/LaAlO$_3$ superlattice. Total energy calculations, taking account of the structural distortions, $U$ dependence, and exchange…

材料科学 · 物理学 2014-03-13 Alex Taekyung Lee , Myung Joon Han

We investigate the effect of epitaxial strain on the Mott metal-insulator transition (MIT) in perovskite systems with d^1 and d^2 electron configuration of the transition metal (TM) cation. We first discuss the general trends expected from…

强关联电子 · 物理学 2016-12-14 Gabriele Sclauzero , Krzysztof Dymkowski , Claude Ederer

SrTiO$_3$ thin films were used as a model system to study the effects of strain and epitaxial constraint on structural phase transitions of perovskite films. The basic phenomena revealed will apply to a variety of important structural…

其他凝聚态物理 · 物理学 2007-05-23 Feizhou He , B. O. Wells , S. M. Shapiro

We have synthesized epitaxial NdNiO$_{3}$ ultra-thin films in a layer-by-layer growth mode under tensile and compressive strain on SrTiO$_{3}$ (001) and LaAlO$_3$ (001), respectively. A combination of X-ray diffraction, temperature…

强关联电子 · 物理学 2015-05-18 Jian Liu , M. Kareev , B. Gray , J. W. Kim , P. Ryan , B. Dabrowski , J. W. Freeland , J. Chakhalian

By combining ab initio simulations including an on-site Coulomb repulsion term and Boltzmann theory, we explore the thermoelectric properties of (LaNiO$_3$)$_n$/(LaAlO$_3$)$_n$(001) superlattices ($n=1,3$) and identify a strong dependence…

材料科学 · 物理学 2018-05-17 Benjamin Geisler , Rossitza Pentcheva

Epitaxial strain plays a key role in determining the structure and functionality of thin films, with the choice of substrate being traditionally used to control the magnitude of the applied strain. However, even in the large family of…

材料科学 · 物理学 2025-12-12 Ruben Hamming-Green , Ewout van der Veer , Beatriz Noheda

The epitaxial stabilization of a single layer or superlattice structures composed of complex oxide materials on polar (111) surfaces is severely burdened by reconstructions at the interface, that commonly arise to neutralize the polarity.…

材料科学 · 物理学 2015-06-12 S. Middey , D. Meyers , M. Kareev , E. J. Moon , B. A. Gray , X. Liu , J. W. Freeland , J. Chakhalian

Infinite-layer nickelates stand as a promising frontier in the exploration of unconventional superconductivity. Their synthesis through topotactic oxygen reduction from the parent perovskite phase remains a complex and elusive process. This…

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