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The epitaxial strain effects on the magnetic ground state of YTiO$_3$ films grown on LaAlO$_3$ substrates have been studied using the first-principles density-functional theory. With the in-plane compressive strain induced by LaAlO$_3$…

Materials Science · Physics 2013-04-04 Xin Huang , Yankun Tang , Shuai Dong

Perovskite LaTiO$_3$ bulk is a typical Mott-insulator with G-type antiferromagnetic order. In this work, the biaxial strain effects on the ground magnetic order of LaTiO$_3$ films grown on various substrates have been studied. For the…

Materials Science · Physics 2014-01-10 Yakui Weng , Xin Huang , Yankun Tang , Shuai Dong

The effect of uniaxial strain on electronic structure and magnetism in LaMnO$_3$ is studied from a model Hamiltonian that illustrates the competition between the Jahn-Teller, super exchange, and double exchange interactions. We retain in…

Materials Science · Physics 2010-12-07 B. R. K. Nanda , S. Satpathy

The strain tuned magnetism of YTiO$_3$ film grown on the LaAlO$_3$ ($110$) substrate is studied by the method of the first principles, and compared with that of the ($001$)-oriented one. The obtained magnetism is totally different, which is…

Materials Science · Physics 2015-02-16 Xin Huang , Qingyu Xu , Shuai Dong

Using first-principles calculations based on the density functional theory, we show a strong strain dependence of magnetic order in (LaMnO$_{3}$)$_n$/(SrMnO$_{3}$)$_{2n}$ (001) superlattices with $n=1,2$. The epitaxial strain lifts the…

Strongly Correlated Electrons · Physics 2015-06-11 Qinfang Zhang , Shuai Dong , Baolin Wang , Seiji Yunoki

Recent years have seen tremendous progress in experimental techniques to create uniaxial strain. Motivated by these advances we investigate the effect of uniaxial strain on LaMnO$_3$ employing ab-initio dynamical mean-field theory, and put…

Strongly Correlated Electrons · Physics 2024-02-23 Florian P. Lindner , Markus Aichhorn , Hrishit Banerjee

In this study, the magnetism and electronic structure of LaTiO$_3$ bilayers along both the ($001$) and ($111$) orientations are calculated using the density functional theory. The band insulator LaScO$_3$ is chosen as the barrier layer and…

Materials Science · Physics 2015-06-19 Yakui Weng , Shuai Dong

In this work, we report observation of strain effect on physical properties of Sr2IrO4 thin films grown on SrTiO3 (001) and LaAlO3 (001) substrates. It is found that the film on LaAlO3 with compressive strain has a lower antiferromagnetic…

Strongly Correlated Electrons · Physics 2023-09-19 N. Hu , Y. K. Weng , K. Chen , B. You , Y. Liu , Y. T. Chang , R. Xiong , S. Dong , C. L. Lu

Using density functional theory calculations including a Hubbard $U$ term we explore the effect of strain and confinement on the electronic ground state of superlattices containing the band insulator LaAlO$_3$ and the correlated metal…

Materials Science · Physics 2012-08-16 Ariadna Blanca-Romero , Rossitza Pentcheva

The behavior of PbTiO$_3$ under uniaxial strains and stresses is investigated from first-principles calculations within density functional theory. We show that irrespectively of the uniaxial mechanical constraint applied, the system keeps a…

Materials Science · Physics 2015-06-22 Henu Sharma , Jens Kreisel , Philippe Ghosez

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…

Materials Science · Physics 2014-03-13 Alex Taekyung Lee , Myung Joon Han

We report the characterization of the crystal structure, low-temperature charge and orbital ordering, transport, and magnetization of Pr_{0.6}Ca_{0.4}MnO_{3} films grown on LaAlO_{3}, NdGaO_{3}, and SrTiO_{3} substrates, which provide…

Recent experiments reported giant magnetoresistance at room temperature in LaOMnAs. Here a density functional theory calculation is performed to investigate magnetic properties of LaOMnAs. The ground state is found to be the G-type…

Materials Science · Physics 2014-03-13 Shuai Dong , Wei Li , Xin Huang , Elbio Dagotto

Among the interfacial transport modulations to the LaAlO3/SrTiO3 (LAO/STO) heterostructure, mechanical strain has been proven to be an effective approach by growing the LAO/STO films on different substrates with varying lattice mismatches…

Materials Science · Physics 2016-07-12 Fang Zhang , Yue-Wen Fang , Ngai Yui Chan , Wing Chong Lo , Dan Feng Li , Chun-Gang Duan , Feng Ding , Ji Yan Dai

Cation displacements, oxygen octahedral tilts, and magnetism of epitaxial, ferrimagnetic, insulating GdTiO3 films sandwiched between cubic SrTiO3 layers are studied using scanning transmission electron microscopy and magnetization…

Strongly Correlated Electrons · Physics 2013-11-05 Jack Y. Zhang , Clayton A. Jackson , Santosh Raghavan , Jinwoo Hwang , Susanne Stemmer

We use density functional plus $U$ methods to study the effects of a tensile or compressive substrate strain on the charge-ordered insulating phase of LuNiO$_3$. The numerical results are analyzed in terms of a Landau energy function, with…

Strongly Correlated Electrons · Physics 2015-06-03 Zhuoran He , Andrew J. Millis

The effects of uniaxial strain on the structural, orbital, optical, and magnetic properties of LaMnO_3 are calculated using a general elastic energy expression, along with a tight-binding parameterization of the band theory. Tensile…

Strongly Correlated Electrons · Physics 2009-10-31 K. H. Ahn , A. J. Millis

The electronic structure of epitaxial films on LaCoO3(LCO) has been studied within first principle electronic structure calculations. A spin state transition is found to take place as a function of lattice strain which freezes in the…

Strongly Correlated Electrons · Physics 2009-01-05 Kapil Gupta , Priya Mahadevan

The effect of high tensile strain and low dimensionality on the magnetic and electronic properties of CaMnO$_3$ ultrathin films, epitaxially grown on SrTiO$_3$ substrates, are experimentally studied and theoretically analyzed. By means of…

Materials Science · Physics 2020-09-02 A. López Pedroso , M. A. Barral , M. E. Graf , A. M. Llois , M. H. Aguirre , L. B. Steren , S. Di Napoli

We report on the observation of a strain-induced insulator state in ferromagnetic La_0.7Sr_0.3CoO_3 films. Tensile strain above 1% is found to enhance the resistivity by several orders of magnitude. Reversible strain of 0.15% applied using…

Strongly Correlated Electrons · Physics 2009-11-13 A. D. Rata , A. Herklotz , K. Nenkov , L. Schultz , K. Doerr
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