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With local density approximation + Hubbard $U$ (LDA+$U$) calculations, we show that the ferromagnetic (FM) insulating state observed in tensile-strained LaCoO$_3$ epitaxial thin films is most likely a mixture of low-spin (LS) and high-spin…

Strongly Correlated Electrons · Physics 2022-05-20 Han Hsu , Peter Blaha , Renata M. Wentzcovitch

LaCoO3 thin films grown under epitaxial tensile strain exhibit a robust ferromagnetic insulating state that is absent in the bulk. Despite many studies, both experimental and computational, the microscopic origin of this phenomenon is not…

Materials Science · Physics 2026-04-08 Ali Barooni , Murod Mirzhalilov , Mohit Randeria , Patrick M. Woodward , Maryam Ghazisaeidi

We show that a ferromagnetic (FM) order in the orthorhombic CaRuO3, which is a non-magnetic and iso-structural analog of FM system SrRuO3, can be established and stabilized by the means of tensile epitaxial strain. Investigations on the…

Materials Science · Physics 2013-01-15 Shivendra Tripathi , Rakesh Rana , Parul Pandey , R. S. Singh , D. S. Rana

It has been well established that both in bulk at ambient pressure and for films under modest strains, cubic SrCoO$_{3-\delta}$ ($\delta < 0.2$) is a ferromagnetic metal. Recent theoretical work, however, indicates that a magnetic phase…

Materials Science · Physics 2015-06-23 S. J. Callori , S. Hu , J. Bertinshaw , Z. Yue , S. Danilkin , X. L. Wang , V. Nagarajan , F. Klose , J. Seidel , C. Ulrich

Polycrystalline Sr$_3$OsO$_6$, which is an ordered double-perovskite insulator, is synthesized via solid-state reaction under high-temperature and high-pressure conditions of 1200 $^\circ$C and 6 GPa. The synthesis enables us to conduct a…

The origin of insulating ferromagnetism in epitaxial LaCoO3 films under tensile strain remains elusive despite extensive research efforts have been devoted. Surprisingly, the spin state of its Co ions, the main parameter of its…

Epitaxial strain provides important pathways to control the magnetic and electronic states in transition metal oxides. However, the large strain is usually accompanied by a strong reduction of the oxygen vacancy formation energy, which…

By using first-principles methods based on density functional theory we revisited the zero-temperature phase diagram of stoichiometric SrCoO3, a ferromagnetic metallic perovskite that undergoes significant structural, electronic, and…

Materials Science · Physics 2016-12-21 Pablo Rivero , Claudio Cazorla

The authors investigated the structure and properties of GdBaCo$_{2}$O$_{5.5+\delta}$ thin films epitaxially grown on SrTiO$_{3}$ (001) single crystal substrates. The thin films were found to have a notable remnant magnetization above room…

Strongly Correlated Electrons · Physics 2009-01-13 G. Y. Wang , X. Y. Zhou , R. K. Zheng , Y. M. Hu , H. L. W. Chan , Y. Wang

Bulk magnetization in Pr_{0.6}Ca_{0.4}MnO_3 thin films with tensile (SrTiO_3) and compressive (LaAlO_3) substrate-induced strain is compared to the magnetooptical Kerr effect (MOKE) measurements. In the absence of an external magnetic…

Strongly Correlated Electrons · Physics 2009-11-13 T. Mertelj , R. Yusupov , M. Filippi , W. Prellier , D. Mihailovic

In the perovskite oxide SrCrO$_{3}$ the interplay between crystal structure, strain and orbital ordering enables a transition from a metallic to an insulating electronic structure under certain conditions. We identified a narrow window of…

Motivated by the recent report on high T$_c$ ferromagnetic insulating state of single transition metal containing double perovskite compound, Sr$_3$OsO$_6$ (Wakabayashi et. al., Nature Commun {\bf 10} 535, 2019), we study this curious…

Strongly Correlated Electrons · Physics 2020-06-24 Shreya Das , Anita Halder , Atasi Chakraborty , Indra Dasgupta , Tanusri Saha-Dasgupta

Compressed Pr0.5Ca0.5MnO3 films (250nm) deposited on LaAlO3 have been studied by Electron Spin Resonance technique under high frequency and high magnetic field. We show evidences for the presence of a ferromagnetic phase (FM) embedded in…

Strongly Correlated Electrons · Physics 2009-11-10 S. de Brion , G. Storch , G. Chouteau , A. Janossy , W. Prellier , E. Rauwel Buzin

Epitaxial strain in transition-metal oxides can induce dramatic changes in electronic and magnetic properties. A recent study on the epitaxially strained SrCoO$_3$ thin films revealed persistent ferromagnetism even across a metal-insulator…

Using density functional theory calculations, ultrathin films of SrVO3(d1) and SrCrO3(d2) on SrTiO3 substrates have been studied as possible multiferroics. Although both are metallic in the bulk limit, they are found to be insulating as a…

Materials Science · Physics 2015-06-16 Kapil Gupta , Priya Mahadevan , Phivos Mavropoulos , Marjana Lezaic

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

Thin films of the ferromagnetic metal SrRuO3 (SRO) show a varying easy magnetization axis depending on the epitaxial strain and undergo a metal-to-insulator transition with decreasing film thickness. We have investigated the magnetic…

Using density functional calculations we have examined the evolution of the electronic structure of SrRuO3 films grown on SrTiO3 substrates as a function of film thickness. At the ultrathin limit of two monolayers (RuO2-terminated surface)…

Strongly Correlated Electrons · Physics 2009-06-17 Priya Mahadevan , F. Aryasetiawan , A. Janotti , T. Sasaki

Very thick films of BiCrO$_3$ have been grown on a SrTiO$_3$ substrate, maintaining a tetragonal lattice up to thicknesses of 14,000\AA. Assuming we can treat films of this thickness as bulk crystals, we first calculated the experimentally…

Materials Science · Physics 2012-02-08 Jun Ding , Yugui Yao , Leonard Kleinman

The (SrTiO$_3$)$_m$/(SrVO$_3$)$_n$ $d^0-d^1$ multilayer system is studied with first principles methods through the observed insulator-to-metal transition with increasing thickness of the SrVO$_3$ layer. When correlation effects with…

Strongly Correlated Electrons · Physics 2015-05-19 Victor Pardo , Warren E. Pickett
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