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We have studied structural, magnetic and transport properties as a function of temperature and magnetic field in the electron doped manganite YxCa1-xMnO3, for 0<x<0.25. We found that in the paramagnetic regime, the magnetic susceptibility,…

Condensed Matter · Physics 2007-05-23 H. Aliaga , M. T. Causa , A. Butera , B. Alascio , H. Salva , M. Tovar D. Vega , G. Polla , G. Leyva , P. Konig

The possible existence of a sign-changing gap symmetry in BaFe$_{2}$As$_{2}$-derived superconductors (SC) has been an exciting topic of research in the last few years. To further investigate this subject we combine Electron Spin Resonance…

Based on first-principles calculations, we discover a two-dimensional layered antiferromagnetic (AFM) electride Gd$_2$O, where anionic excess electrons exist in the interstitial spaces between positively charged cationic layers. It is…

Materials Science · Physics 2022-01-26 Shuyuan Liu , Chongze Wang , Hyunsoo Jeon , Jeehoon Kim , Jun-Hyung Cho

Employing $\textit{ab-initio}$ density functional theory (DFT), we performed a systematic investigation of the electronic structures and the magnetic properties of atomic bilayers composed of a 4$d$ transition-metal layer (Rh, Pd and Ru)…

Materials Science · Physics 2023-12-08 Souvik Paul , Stefan Heinze

We present results of density-functional calculations on the magnetic properties of Cr, Mn, Fe and Co nano-clusters (1 to 9 atoms large) supported on Cu(001) and Cu(111). The inter-atomic exchange coupling is found to depend on competing…

Materials Science · Physics 2015-05-14 Phivos Mavropoulos , Samir Lounis , Stefan Blügel

We report on high-field magnetic properties of the silver vanadium phosphate Ag(2)VOP(2)O(7). This compound has a layered crystal structure, but the specific topology of the V-P-O framework gives rise to a one-dimensional spin system, a…

Strongly Correlated Electrons · Physics 2009-11-13 Alexander A. Tsirlin , Ramesh Nath , Franziska Weickert , Yurii Skourski , Christoph Geibel , Helge Rosner

We study the momentum- and temperature dependencies of magnetic susceptibilities and magnetic exchange in paramagnetic fcc iron by a combination of density functional theory and supercell dynamical mean-field theory (DFT+DMFT). We find that…

Strongly Correlated Electrons · Physics 2018-07-31 A. A. Katanin , A. S. Belozerov , V. I. Anisimov

We investigate the structural and electronic origin of antiferromagnetic (AFM) coupling in the Yttrium iron garnet (YIG) and permalloy (Py) bilayer system at the atomic level. Ferromagnetic Resonance (FMR) reveal unique hybrid modes in…

We predict the phenomenon of antiferroelectric resonance (AFER), in which an ac electric field causes magnetic ions located at noncentrosymmetric positions in a multi-sublattice magnet to undergo magnetic transitions corresponding to…

Strongly Correlated Electrons · Physics 2012-03-14 V. N. Krivoruchko , D. A. Yablonskii

We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…

Strongly Correlated Electrons · Physics 2015-08-19 Michi-To Suzuki , Ryotaro Arita , Hiroaki Ikeda

Antiferromagnets (AFMs) with zero net magnetization are proposed as active elements in future spintronic devices. Depending on the critical thickness of the AFM thin films and the measurement temperature, bimetallic Mn-based alloys and…

We propose silver-based oxides with layered perovskite structure as candidates of exhibiting intriguing feature of strongly correlated electrons. The compounds show unique covalence between Ag d and O p orbitals with the strong electron…

Metallic superlattices where the magnetization vectors in the adjacent ferromagnetic layers are antiferromagnetically coupled by the interlayer exchange coupling through nonmagnetic spacer layers are systems available for the systematic…

Materials Science · Physics 2020-07-01 Hiroto Masuda , Takeshi Seki , Yong-Chang Lau , Takahide Kubota , Koki Takanashi

Based on density functional theory band structure calculations, quantum Monte-Carlo simulations, and high-field magnetization measurements, we address the microscopic magnetic model of BaAg2Cu[VO4]2 that was recently proposed as a spin-1/2…

Materials Science · Physics 2012-06-19 Alexander A. Tsirlin , Angela Moeller , B. Lorenz , Yu. Skourski , H. Rosner

The magnetic properties of a series of YBa2Cu3O7-x/La2/3Ca1/3MnO3 (YBCO/LC1/3MO) superlattices grown by dc sputtering at high oxygen pressures (3.5 mbar) show the expected ferromagnetic behaviour. However, field cooled hysteresis loops at…

Materials Science · Physics 2009-11-10 N. Haberkorn , J. Guimpel , M. Sirena , L. B. Steren , W. Saldarriaga , E. Baca , M. E. Gómez

The electronic and magnetic properties of neutral substitutional transition-metal dopants in dia- mond are calculated within density functional theory using the generalized gradient approximation to the exchange-correlation potential. Ti…

Materials Science · Physics 2015-06-03 Thomas Chanier , Craig Pryor , Michael E. Flatte'

Using density functional theory plus Hubbard-U (DFT+U) approach, we find that quasi one-dementation(1D) 3d transition metal(TM) zigzag nanowire can be constructed by TM adsorbed on the surface of graphyne sheet. The results show that the TM…

Materials Science · Physics 2013-05-22 Junjie He , Pan Zhou , N. Jiao , S. Y. Ma , K. W. Zhang , R. Z. Wang , L. Z. Sun

In this study, we determined the effect of doping with the noble metal Ag on Ir$_2$Te$_4$ superconductors. Based on the resistivity, magnetization, and heat capacity, we explored the changes in the superconductivity and charge density wave…

We study the interplay of 3d and 4f electrons in the iron pnictides CeFe$_{1-x}$Co$_x$AsO and GdFe$_{1-y}$Co$_y$AsO, which correspond to two very different cases of $4f$-magnetic moment. Both CeFeAsO and GdFeAsO undergo a spin-density-wave…

Strongly Correlated Electrons · Physics 2015-06-12 T. Shang , L. Yang , Y. Chen , N. Cornell , F. Ronning , J. L. Zhang , L. Jiao , Y. H. Chen , J. Chen , A. Howard , J. Dai , J. D. Thompson , A. Zakhidov , M. B. Salamon , H. Q. Yuan

In this article, we examine the superconducting properties of low- and high-$T_c$ magnetic superconductors in magnetic fields close to the first penetration field. Attention is paid to the properties that relate to the interactions between…

Superconductivity · Physics 2009-11-10 Krzysztof Rogacki
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