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We present theoretical study of relative stability as well as of the magnetic and electronic properties of AgF2 and CuF2, in two related structural forms: orthorhombic (ambient pressure form of AgF2) and monoclinic (ambient pressure form of…

Materials Science · Physics 2024-03-28 Daniel Jezierski , Wojciech Grochala

Crystal and electronic structure, lattice dynamics and thermodynamic stability of little known mixed valent diamagnetic AgIAgIIIF4 beta form of AgF2 is thoroughly examined for the first time and compared with well known antiferromagnetic…

Materials Science · Physics 2021-01-06 Kamil Tokar , Mariana Derzsi , Wojciech Grochala

On the basis of the first-principles evolutionary crystal structure prediction of stable compounds in the Cu-F system, we predict two experimentally unknown stable phases -- Cu2F5 and CuF3. Cu2F5 comprises two interacting magnetic…

EuCd$_2$As$_2$ is an antiferromagnetic semimetal, that can host non-trivial topological properties, depending upon its magnetic state and excitations. Here, we report the synthesis and characterization of Eu(Cd$_{1-x}$Ag$_x$)$_2$As$_2$ and…

Samples consisting of one ferromagnetic and one diamagnetic component which are immiscible at the thermodynamic equilibrium (Co-Cu, Fe-Cu, Fe-Ag) are processed by high-pressure torsion at various compositions. The received microstructures…

Copper(II) silver(II) sulfate crystallizes in a monoclinic CuSO4-related structure with P21/n symmetry. This quasi-ternary compound features [Ag(SO4)2]2- layers, while the remaining cationic sites may be occupied either completely or…

Materials Science · Physics 2023-10-16 Mateusz Domanski , Zoran Mazej , Wojciech Grochala

Polycrystalline samples of underdoped (Ba1-xKx)Fe2As2 (x<=0.4) were synthesized and studied by x-ray powder diffraction, magnetic susceptibility, specific heat and 57Fe-Moessbauer-spectroscopy. The structural phase transition from…

The random substitutional solid solution between the antiferromagnetic (AFM) full-Heusler alloy Ru$_2$MnSn and the ferromagnetic (FM) full-Heusler alloy Ru$_2$FeSn provides a rare opportunity to study FM-AFM phase competition in a…

Neutron and x-ray diffraction studies show that the simultaneous first-order transition to an orthorhombic and antiferromagnetic (AFM) ordered state in BaFe2As2 splits into two transitions with Co doping. For Ba(Fe0.953Co0.047)2As2, a…

We report systematic investigation of high pressure crystal structures and structural phase transition upto 46 GPa in CaFeAsF and 40 GPa in SrFeAsF at 40 K using powder synchrotron x-ray diffraction experiments and Rietveld analysis of the…

Hybrid density functional calculations are performed for a variety of systems containing d9 ions (Cu2+, Ag2+), and exhibiting quasi-one-dimensional magnetic properties. In particular we study fluorides containing these ions in a rarely…

Strongly Correlated Electrons · Physics 2017-11-01 Dominik Kurzydlowski , Wojciech Grochala

Synchrotron x-ray diffraction experiments were performed on BaFe$_2$As$_2$ and Sr(Fe$_{1-x}$Co$_{x}$)$_2$As$_2$ single crystals as a function of temperature and applied magnetic field along the tetragonal $[1 \bar{1} 0]$ direction,…

Superconductivity · Physics 2018-07-02 U. F. Kaneko , C. B. R. Jesus , M. E. Saleta , P. G. Pagliuso , R. R. Urbano , E. Granado

We report Cu- and F-NMR studies on a four-layered high-temperature superconductor Ba2Ca3Cu4O8F2(0234F(2.0)) with apical fluorine (F-1), an undoped 55 K-superconductor with a nominal Cu2+ valence on average. We reveal that this compound…

Superconductivity · Physics 2009-11-13 S. Shimizu , H. Mukuda , Y. Kitaoka , A. Iyo , Y. Tanaka , Y. Kodama , K. Tokiwa , T. Watanabe

We have carried out a detailed experimental investigation on CuO using dielectric constant, ac resistance, Raman spectroscopy and X-ray diffraction measurements at high pressures and room temperature. Both dielectric constant and dielectric…

Study and comparison of over 30 examples of electron doped BaFe2As2 for transition metal (TM) = Co, Ni, Cu, and (Co/Cu mixtures) have lead to an understanding that the suppression of the structural/antiferromagnetic phase transition to low…

Superconductivity · Physics 2009-08-04 P. C. Canfield , S. L. Bud'ko , N. Ni , J. Q. Yan , A. Kracher

In order to explore the possibility of tuning superconducting and ferromagnetic transitions by Cu doping (for Ru) in GdSr2RuCu2O8, we have carried out synthesis and characterization of GdSr2Ru{1-x}Cu{2+x)O8 (x = 0, 0.05, 0.1, 0.2) and…

The structural and physical properties of two single-grain Au-Al-Gd 1/1 approximant crystals (ACs) with analyzed compositions Au73.67Al12.24Gd14.09 and Au74.67Al11.35Gd13.98 were thoroughly investigated. The two variants are iso-structural…

Materials Science · Physics 2025-03-18 Farid Labib , Takanori Sugimoto , Hiroyuki Takakura , Asuka Ishikawa , Ryuji Tamura

Based on the Density Functional Theory calculations, we propose a new pathway toward compounds featuring flat [AgF2] layers which mimic [CuO2] layers in high-temperature oxocuprate superconductor precursors. Calculations predict the dynamic…

Materials Science · Physics 2024-12-17 Daniel Jezierski , Jose Lorenzana , Wojciech Grochala

We present data on the optical conductivity of URu$_{2-x}$(Fe,Os)$_{x}$Si$_{2}$. While the parent material URu$_2$Si$_2$ enters the enigmatic hidden order phase below 17.5 K, an antiferromagnetic phase is induced by the substitution of Fe…

Strongly Correlated Electrons · Physics 2015-11-11 Jesse S. Hall , M. Rahimi Movassagh , M. N. Wilson , G. M. Luke , N. Kanchanavatee , K. Huang , M. Janoschek , M. B. Maple , T. Timusk

We study URu$_{2-x}$Fe$_x$Si$_2$, in which two types of staggered phases compete at low temperature as the iron concentration $x$ is varied: the nonmagnetic "hidden order" (HO) phase below the critical concentration $x_c$, and…

Strongly Correlated Electrons · Physics 2016-11-30 H. -H. Kung , S. Ran , N. Kanchanavatee , V. Krapivin , A. Lee , J. A. Mydosh , K. Haule , M. B. Maple , G. Blumberg
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