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The parent compound of high-Tc superconducting cuprates is a unique Mott state consisting of layers of spin-1/2 ions arranged on a square lattice and with a record high antiferromagnetic coupling within the layers. Compounds with similar…

AgF$_2$ is a correlated charge-transfer insulator with properties remarkably similar to insulating cuprates which have raised hope that it may lead to a new family of unconventional superconductors upon doping. We use ab initio computations…

Strongly Correlated Electrons · Physics 2021-06-16 Subrahmanyam Bandaru , Mariana Derzsi , Adam Grzelak , Jose Lorenzana , Wojciech Grochala

AgF2 has been proposed as a cuprate analogue which requires strong correlation and marked covalence. On the other hand, fluorides are usually quite ionic and 4d transition metals tend to be less correlated than their 3d counterparts, which…

We investigate the electronic structure of AgF2, AgFBF4, AgF and Ag2O using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) at the Ag L3 edge. XAS results were compared with density functional theory…

Magnetic properties of silver(II) compounds have been of interest in recent years. In covalent compounds, the main mechanism of interaction between paramagnetic sites is the superexchange via the connecting ligand. To date, little is known…

Materials Science · Physics 2021-10-11 Mateusz A. Domański , Wojciech Grochala

We have successfully prepared two novel mixed-valence compounds of silver, Ag(I)Ag(II)F3 and Ag(I)2Ag(II)F4. They may be considered to be long-sought strongly electron-overdoped Ag(II)F2. Their crystal structures indicate that both belong…

Materials Science · Physics 2024-08-21 Katarzyna Kuder , Kacper Koteras , Zoran Mazej , Wojciech Grochala

Using Density Functional Theory, competition between Mott-Hubbard and intervalence charge transfer mechanism of electron localization is revealed in AgF$_2$, an important silver analogue of oxocuprates. We show that at reduced temperature…

Strongly Correlated Electrons · Physics 2022-02-28 Mariana Derzsi , Kamil Tokár , Przemysław Piekarz , Wojciech Grochala

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

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…

Although the precise mechanism of high-Tc superconductivity in the layered cuprates remains unknown, it is generally thought that strong 2D Heisenberg antiferromagnetism combined with disruptive hole doping is an essential aspect of the…

Strongly Correlated Electrons · Physics 2007-05-23 S. E. McLain , D. A. Tennant , J. F. C. Turner , T. Barnes , M. R. Dolgos , Th. Proffen , B. C. Sales , R. I. Bewley

Using quantum mechanical calculations, we examine magnetic (super)exchange interactions in hypothetical, chemically reasonable molecular coordination clusters containing fluoride bridged late transition metals or selected lanthanides, as…

Materials Science · Physics 2022-12-23 Mateusz Domański , Jan van Leusen , Marvin Metzelaars , Paul Kögerler , Wojciech Grochala

Charge transfer (CT) insulators are the parent phase of a large group of today's unconventional high-temperature superconductors. Here we study experimentally and theoretically the interband excitations of the CT insulator silver fluoride…

We investigate the thermodynamic and transport properties of silver-substituted BaFe2As2 (122) crystals, up to ~4.5%. Similar to other transition-metal substitutions in 122, Ag diminishes the antiferromagnetic (TN) and structural (TS)…

Superconductivity · Physics 2016-10-19 Li Li , Huibo Cao , David S. Parker , Stephen J. Kuhn , Athena S. Sefat

Metal oxyfluorides constitute a broad group of chemical compounds with rich spectrum of crystal structures and properties. Here we predict, based on evolutionary algorithm approach, the crystal structure and selected properties of…

Materials Science · Physics 2021-05-28 Mateusz Domański , Wojciech Grochala

We present a new compound in the silver cobalt fluoride system, featuring paramagnetic silver (d9) and high-spin cobalt (d6), synthesized by solid state method in an autoclave under F2 overpressure. Based on powder X ray diffraction, we…

Materials Science · Physics 2024-04-29 Daniel Jezierski , Zoran Mazej , Wojciech Grochala

AgF2 is a layered material and a correlated charge transfer insulator with an electronic structure very similar to the parent compounds of cuprate high-Tc superconductors. It is also interesting for being a powerful oxidizer. Here we…

Materials Science · Physics 2020-10-28 Wojciech Wegner , Kamil Tokár , Jose Lorenzana , Mariana Derzsi , Wojciech Grochala

Gold is one of the most inert metals, forming very few compounds, some with rather interesting properties, and only two of them currently known to be superconducting under certain conditions (AuTe$_2$ and SrAuSi$_3$). Compounds of another…

Fluoridoargentates(II) represent a fascinating class of silver(II) compounds that exhibit structural and magnetic similarities to cuprate superconductors. However, their synthesis is challenging, leaving their properties largely unexplored.…

Berg, Metlitski and Sachdev, Science 338, 1606 (2012), have shown that the exchange of hidden spin fluctuations by conduction electrons with two orbitals can result in high-temperature superconductivity in copper-oxide materials. We…

Superconductivity · Physics 2021-05-28 J. P. Rodriguez

We propose two possible new compounds, Ba$_2$CuO$_2$Fe$_2$As$_2$ and K$_2$CuO$_2$Fe$_2$Se$_2$, which hybridize the building blocks of two high temperature superconductors, cuprates and iron-based superconductors. These compounds consist of…

Superconductivity · Physics 2016-06-14 Xia Dai , Congcong Le , Xianxin Wu , Jiangping Hu
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