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We introduce a method to analyze the effect of hybridization by shifting corresponding atomic levels using external potentials. Based on this approach, we study perovskite ruthenates,\ and unambiguously identify that the covalency between…

材料科学 · 物理学 2011-01-11 Xiangang Wan , Jian Zhou , Jinming Dong

The perovskite ruthenates (ARuO3, A = Ca, Ba, or Sr) exhibit unique properties owing to a subtle interplay of crystal structure and electronic-spin degrees of freedom. Here, we demonstrate an intriguing continuous tuning of crystal symmetry…

The thermodynamic properties of the ferromagnetic perovskite YTiO$_3$ are investigated by thermal expansion, magnetostriction, specific heat, and magnetization measurements. The low-temperature spin-wave contribution to the specific heat,…

Rare earth based cobalt-ruthenium double perovskites A$_2$CoRuO$_6$ (A = La, Pr, Nd and Sm) were synthesized and investigated for their structural and magnetic properties. All the compounds crystallize in the monoclinic $P2_1/n$ structure…

材料科学 · 物理学 2019-07-24 Manjil Das , Prabir Dutta , Saurav Giri , Subham Majumdar

We use resonant and non-resonant X-ray diffraction measurements in combination with first-principles electronic structure calculations and Monte Carlo simulations to study the relationship between crystal structure and multiferroic orders…

We have used high-resolution Extended X-ray Absorption Fine-Structure and diffraction techniques to measure the local structure of strained La$_{0.5}$Sr$_{0.5}$CoO$_3$ films under compression and tension. The lattice mismatch strain in…

强关联电子 · 物理学 2009-11-13 C. K. Xie , J. I. Budnick , W. A. Hines , B. O. Wells , J. C. Woicik

We investigate the unusual phase transitions in SrRuO$_{3}$ and Sr$_{0.5}$Ca$_{0.5}$Ru$_{1-x}$Cr$_{x}$O$_{3}$ (x=0,0.05 and 0.1) employing x-ray diffraction, resistivity, magnetic studies and x-ray photoemission spectroscopy. Our results…

强关联电子 · 物理学 2023-03-29 Jaskirat Brar , Saurabh Singh , Kentaro Kuga , Priyamedha Sharma , Bharath M , Tsunehiro Takeuchi , Bindu R

The electronic and magnetic properties in ABO3 perovskite oxides are extremely sensitive to lattice structure but also the dimensionality, such as the thickness in thin film form. Here, we report the thickness-dependent electro-magnetic…

材料科学 · 物理学 2022-12-26 Zeeshan Ali , Mohammad Saghayezhian , Prahald Siwakoti , Roshan Nepal , Jiandi Zhang

Ruthenium-based perovskite systems are attractive because their Structural, electronic and magnetic properties can be systematically engineered. SrRuO$_3$/SrTiO$_3$ superlattice, with its period consisting of one unit cell each, is very…

强关联电子 · 物理学 2012-10-15 Mingqiang Gu , Qiyun Xie , Xuan Shen , Rubin Xie , Jianli Wang , Gang Tang , Di Wu , G. P. Zhang , X. S. Wu

Perovskite oxide heterostructures offer an important path forward for stabilizing and controlling low-dimensional magnetism. One of the guiding design principles for these materials systems is octahedral connectivity. In superlattices…

材料科学 · 物理学 2017-11-08 Charles L. Flint , Arturas Vailionis , Hua Zhou , Hoyoung Jang , Jun-Sik Lee , Yuri Suzuki

Several puzzling aspects of interplay of the experimental lattice distortion and the the magnetic properties of four narrow $t_{2g}$-band perovskite oxides (YTiO$_3$, LaTiO$_3$, YVO$_3$, and LaVO$_3$) are clarified using results of…

强关联电子 · 物理学 2007-05-23 I. V. Solovyev

We theoretically investigate the influence of internal and external strain on topological phases in (LaNiO$_3$)$_2$/(LaAlO$_3$)$_N$ heterostructures grown along the [111] direction. At the Hartree-Fock level, topological phases originate…

强关联电子 · 物理学 2013-10-02 Andreas Rüegg , Chandrima Mitra , Alexander A. Demkov , Gregory A. Fiete

Lattice structure can dictate electronic and magnetic properties of a material. Especially, reconstruction at a surface or heterointerface can create properties that are fundamentally different from those of the corresponding bulk material.…

We use first-principles density functional theory-based calculations to investigate structural instabilities in the high symmetry cubic perovskite structure of rare-earth (R $=$ La, Y, Lu) and Bi-based biferroic chromites, focusing on…

材料科学 · 物理学 2009-11-13 Nirat Ray , Umesh V. Waghmare

We report results of structural, magnetic and transport properties of single crystal CaRu1-xCrxO3 (0≤x≤0.36) and SrRu1-xCrxO3 (0≤x≤0.30). Cr substitution as low as x=0.08 drives CaRu1-xCrxO3 from the paramagnetic…

强关联电子 · 物理学 2007-05-23 V. Durairaj , E. Elhami , S. Chikara , X. N. Lin , A. Douglass , G. Cao P. Schlottmann , E. S. Choi , R. P. Guertin

We systematically synthesized perovskite-type oxides Sr1-xCaxCoO3 containing unusually high valence Co4+ ions by a high pressure technique, and investigated the effect of systematic lattice change on the magnetic and electronic properties.…

The magnetic ground state of perovskite structure CaRuO3 has been enigmatic for decades. Here we show that paramagnetic CaRuO3 can be made ferromagnetic by very small amounts of partial substitution of Ru by Ti. Magnetic hysteresis loops…

凝聚态物理 · 物理学 2009-11-07 T. He , R. J. Cava

Oxide heterointerfaces constitute a rich platform for realizing novel functionalities in condensed matter. A key aspect is the strong link between structural and electronic properties, which can be modified by interfacing materials with…

We use density functional theory calculations to show that the LaAlO3|SrTiO3 interface between insulating perovskite oxides is borderline in satisfying the Stoner criterion for itinerant ferromagnetism and explore other oxide combinations…

材料科学 · 物理学 2014-09-17 Nirmal Ganguli , Paul J. Kelly

We study the antiferrodistortive instability and its interaction with ferroelectricity in cubic perovskite compounds. Our first-principles calculations show that coexistence of both instabilities is very common. We develop a…

mtrl-th · 物理学 2008-02-03 W. ~Zhong , David Vanderbilt
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