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We report on detailed structural, electronic and magnetic studies of GdMn$_{1-x}$Cr$_x$O$_3$ for Cr doping levels 0 $\le$ $x$ $\le$ 1. In the solid solutions, the Jahn-Teller distortion associated with Mn$^{3+}$ ions gives rise to major…

We report on the evolution of the average and depth-dependent magnetic order in thin film samples of biaxially stressed and electron-doped EuTiO$_3$ for samples across a doping range $<$0.1 to 7.8 $\times 10^{20}$ cm$^{-3}$. Under an…

Strongly Correlated Electrons · Physics 2020-05-22 Zach Porter , Ryan F. Need , Kaveh Ahadi , Yang Zhao , Zhijun Xu , Brian J. Kirby , Jeffrey W. Lynn , Susanne Stemmer , Stephen D. Wilson

First-principles calculations have been performed for different collinear magnetic orderings in orthorhombic manganites, such as HoMnO3, TbMnO3 and YMnO3, showing large GdFeO3-like distortions. Our results suggest that the AFM-E type…

Materials Science · Physics 2009-11-11 S. Picozzi , K. Yamauchi , G. Bihlmayer , S. Bluegel

The BaCe0.8Y0.2O3-{\delta} proton conductor under hydration and under compressive strain has been analyzed with high pressure Raman spectroscopy and high pressure x-ray diffraction. The pressure dependent variation of the Ag and B2g bending…

The temperature dependent resistivity of two Pr1-xCaxMnO3 (x=0.5 and 0.4) thin films grown on LaAlO3 has been studied as a function of hydrostatic pressure (up to 2.5 GPa) and magnetic field (up to 9T). Both samples show a monotonic…

Materials Science · Physics 2008-10-13 M. Filippi , W. Prellier , P. Auban-Senzier , C. R. Pasquier

A comprehensive investigation of the electronic and magnetic properties of NaOsO3 has been made using the first principle calculations, in order to understand the importance of Coulomb interaction, spin-orbit coupling and magnetic order in…

Strongly Correlated Electrons · Physics 2012-05-17 Yongping Du , Xiangang Wan , Li Sheng , Jinming Dong , Sergey Y. Savrasov

In this work we study the electronic structure and magnetism of a TiO2 film grown on another non-magnetic oxide such as a LaAlO3 (001) substrate, concentrating on the role played by structural relaxation and oxygen vacancies. Using Density…

Materials Science · Physics 2008-11-14 Valeria Ferrari , Mariana Weissmann

We studied the structural, magnetic and transport properties of LaAlO3/EuTiO3/SrTiO3 heterostructures grown by Pulsed Laser Deposition. The samples have been characterized in-situ by electron diffraction and scanning probe mi-croscopy and…

In this Thesis, a study of the electronic structure of two Ti-based oxide systems, TiO2 thin films and the ultra-thin LaAlO3-SrTiO3 (LAO-STO) heterojunctions, is given. A weak room-temperature ferromagnetism (FM) has been detected in…

Strongly Correlated Electrons · Physics 2012-10-31 Giovanni Drera

Effects of lattice distortion on the magnetic ground state of YTiO$_3$ and LaiO$_3$ are investigated on the basis accurate tight-binding parametrization of the $t_{2g}$ electronic structure extracted from the local-density approximation.…

Strongly Correlated Electrons · Physics 2007-05-23 I. V. Solovyev

Epitaxial strain has emerged as a powerful tool to tune magnetic and ferroelectric properties in functional materials such as in multiferroic perovskite oxides. Here, we use first-principles calculations to explore the evolution of magnetic…

Materials Science · Physics 2023-11-23 Sebastian Meyer , Bin Xu , Laurent Bellaiche , Bertrand Dupé

We study the influence of external pressure on the electronic and magnetic structure of EuMnO3 from first-principles calculations. We find a pressure-induced insulator-metal transition at which the magnetic order changes from A-type…

Computational Physics · Physics 2017-06-30 R. Qiu , E. Bousquet , A. Cano

By combining genetic algorithm optimizations, first-principles calculations and the double-exchange model studies, we have unveiled that the exotic insulating ferromagnetism in LaMnO3 thin film originates from the previously unreported…

Strongly Correlated Electrons · Physics 2015-05-20 Yusheng Hou , Hongjun Xiang , Xingao Gong

Exploring the physics of low-dimensional spin systems and their pressure-driven electronic and magnetic transitions are thriving research field in modern condensed matter physics. In this context, recently antiferromagnetic Cr-based…

Strongly Correlated Electrons · Physics 2024-01-02 Kuldeep Kargeti , Aadit Sen , S. K. Panda

We have studied electrical transport and magnetic properties of epitaxial La_0.66 Sr_0.33 Mn O_3 thin films grown on different substrates having different lattice strains induced by different film-substrate lattice-mismatch. Both electrical…

Materials Science · Physics 2009-11-13 Puja Dey , T. K. Nath , A. Taraphder

Ab initio calculations show an antiferromagnetic-ferromagnetic phase transition around 9-10 GPa and a magnetic anomaly at 12 GPa in BiFeO3. The magnetic phase transition also involves a structural and insulator-metal transition. The G-type…

Materials Science · Physics 2012-12-20 Hong-Jian Feng

Suppression of superconductivity in favour of a striped phase, and its coincidence with a structural transition from a low-temperature orthorhombic (LTO) to a low-temperature tetragonal (LTT) phase, is a ubiquitous feature of hole-doped…

Superconductivity · Physics 2023-03-07 Christopher Keegan , Mark S. Senn , Nicholas C. Bristowe , Arash A. Mostofi

The application of a substrate bias during rf magnetron sputtering alters the crystalline structure, grain morphology, lattice strain and composition of BaxSr1-xTiO3 thin films. As a result, the dielectric properties of Pt/BaxSr1-xTiO3/Pt…

Materials Science · Physics 2012-10-25 Tommi Riekkinen , Jan Saijets , Pasi Kostamo , Timo Sajavaara , Sebastiaan van Dijken

First-principles density functional theory calculations have been performed to understand the electronic structure and orbital polarization of LaNiO$_3$ with a reduced coordination and under strain. From the slab calculation to simulate…

Materials Science · Physics 2011-10-03 Myung Joon Han , Michel van Veenendaal

The series of intermetallic compounds $R$NiSi$_3$ ($R$ = rare earth) shows interesting magnetic properties evolving with $R$ and metamagnetic transitions under applied magnetic field for some of the compounds. The microscopic magnetic…

Strongly Correlated Electrons · Physics 2019-07-24 R. Tartaglia , F. R. Arantes , C. W. Galdino , D. Rigitano , U. F. Kaneko , M. A. Avila , E. Granado
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