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Related papers: Ba2NiOsO6: A Dirac-Mott insulator with ferromagnet…

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Results are presented of single crystal structural, thermodynamic, and reflectivity measurements of the double-perovskite Ba2NaOsO6. These characterize the material as a 5d^1 ferromagnetic Mott insulator with an ordered moment of ~0.2 Bohr…

Strongly Correlated Electrons · Physics 2009-11-11 A. S. Erickson , S. Misra , G. J. Miller , R. R. Gupta , Z. Schlesinger , W. A. Harrison , J. M. Kim , I. R. Fisher

We report the first principle investigations on the structural, electronic, magnetic and ferroelectric properties of a Pb free double perovskite multiferroic Bi2NiTiO6 using density functional theory within the general gradient…

Computational Physics · Physics 2018-05-09 Lokanath Patra , P. Ravindran

We successfully dope the magnetically silent double perovskite semiconductor Sr2GaSbO6 to induce ferromagnetism and tune its band gap, with Ga3+ partially substituted by the magnetic trivalent cation Mn3+, in a rigid cation ordering with…

Materials Science · Physics 2022-01-24 Lun Jin , Danrui Ni , Xin Gui , Daniel B. Straus , Qiang Zhang , Robert J. Cava

We carry out a first-principles investigation on magnetism, electronic structure, magneto-optical effects and topological property of newly grown cubic double perovskite Ba2NiOsO6 and its (111) (Ba2NiOsO6)/(BaTiO3)10 superlattice, based on…

Strongly Correlated Electrons · Physics 2019-10-02 Hai-Shuang Lu , Guang-Yu Guo

The double perovskite Ba$_{2}$NaOsO$_{6}$ (BNOO), an exotic example of a very high oxidation state (heptavalent) osmium $d^1$ compound and also uncommon by being a ferromagnetic Mott insulator without Jahn-Teller (JT) distortion, is modeled…

Strongly Correlated Electrons · Physics 2015-06-23 Shruba Gangopadhyay , Warren E. Pickett

Room-temperature ferrimagnetism was discovered for the anti-site-disordered perovskite Ca2MnOsO6 with Tc = 305 K. Ca2MnOsO6 crystallizes into an orthorhombic structure with a space group of Pnma, in which Mn and Os share the…

We predict through our first-principles calculations that four double perovskite oxides of Bi2ABO6 (AB = FeMo, MnMo, MnOs, CrOs) are half-metallic ferrimagnets. Our calculated results shows that the four optimized structures have negative…

Materials Science · Physics 2013-01-31 Si-Da Li , Peng Chen , Bang-Gui Liu

Hybrid transition metal oxides continue to attract attention due to their multiple degrees of freedom ($e.g.$, lattice, charge, spin, and orbital) and versatile properties. Here we investigate the magnetic and electronic properties of the…

Strongly Correlated Electrons · Physics 2022-05-17 Ke Yang , Wenjing Xu , Di Lu , Yuxuan Zhou , Lu Liu , Yaozhenghang Ma , Guangyu Wang , Hua Wu

In the exploration of new osmium based double perovskites, Sr2FeOsO6 is a new insertion in the existing family. The polycrystalline compound has been prepared by solid state synthesis from the respective binary oxides. PXRD analysis shows…

Materials Science · Physics 2013-07-11 Avijit Kumar Paul , Martin Jansen , Binghai Yan , Claudia Felser , Manfred Reehuis , Paula M. Abdala

Motivated by the observation of nonmetallic nature in double perovskite Ca2CrReO6 and Ca2FeReO6 with high magnetic Curie temperatures of 360 and 522 K, we systematically investigate the structural, electronic, and magnetic properties of…

Materials Science · Physics 2015-11-11 Sai Gong , San-Dong Guo , Peng Chen , Bang-Gui Liu

We report on the cubic double perovskite Ba2MgReO6 containing Re6+ ions with the 5d1 electron configuration. Resistivity, magnetization, and heat capacity measurements using single crystals show that the compound is a Mott insulator with a…

Strongly Correlated Electrons · Physics 2019-06-11 Daigorou Hirai , Zenji Hiroi

Sr$_2$FeOsO$_6$ is an insulating double perovskite compound which undergoes antiferromagnetic transitions at 140 K ($T_{N1}$) and 67 K ($T_{N2}$). To study the underlying electronic and magnetic interactions giving rise to this behavior we…

Using density functional calculations, we find that the newly synthesized Ca$_2$FeOsO$_6$ has the high-spin Fe$^{3+}$ ($3d^5$)-Os$^{5+}$ ($5d^3$) state. The octahedral Os$^{5+}$ ion has a large intrinsic exchange splitting, and its…

Strongly Correlated Electrons · Physics 2014-08-13 Hongbo Wang , Shasha Zhu , Xuedong Ou , Hua Wu

We present results from ab initio calculations based on density functional theory for bismuth-based double perovskite Bi2MnTiO6. Using total energy calculation with stress and force minimization we have predicted the equilibrium crystal…

Materials Science · Physics 2017-06-07 Lokanath Patra , P. Ravindran

We report on the structural, magnetic, and electronic properties of two new double-perovskites synthesized under high pressure; Pb2CaOsO6 and Pb2ZnOsO6. Upon cooling below 80 K, Pb2CaOsO6 simultaneously undergoes a metal--insulator…

The ordered double perovskites Sr2CrOsO6 and Ca2CrOsO6 have been synthesized and characterized with neutron powder diffraction, electrical transport measurements, and high field magnetization experiments. Sr2CrOsO6 and Ca2CrOsO6 crystallize…

The non-stoichiometric double perovskite oxide La2Ni1.19Os0.81O6 was synthesized by solid state reaction and its crystal and magnetic structures were investigated by powder x-ray and neutron diffraction. La2Ni1.19Os0.81O6 crystallizes in…

Strongly Correlated Electrons · Physics 2018-05-16 Hai L. Feng , Manfred Reehuis , Peter Adler , Zhiwei Hu , Michael Nicklas , Andreas Hoser , Shih-Chang Weng , Claudia Felser , Martin Jansen

Neutron diffraction studies have been carried out on a single crystal of oxygen-deficient perovskite TbBaCo2O5.5 in the temperature range of 7-370 K. There have been observed several magnetic or structural transitions. Among these, the…

Strongly Correlated Electrons · Physics 2009-11-10 Minoru Soda , Yukio Yasui , Toshiaki Fujita , Takeshi Miyashita , Masatoshi Sato , Kazuhisa Kakurai

Neutron diffraction, magnetization, resistivity, and heat capacity measurements on the 6H-perovskite Ba3BiRu2O9 reveal simultaneous magnetic and structural dimerization driven by strong magnetoelastic coupling. An isostructural but strongly…

Strongly Correlated Electrons · Physics 2015-06-03 Wojciech Miiller , Maxim Avdeev , Qingdi Zhou , Andrew J. Studer , Brendan J. Kennedy , Gordon J. Kearley , Chris D. Ling

Among multifunctional double perovskite oxides, La2NiMnO6 has recently drawn significant attention due to its importance both in terms of understanding of fundamental physics and potential for device applications. The relative alteration in…

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