Related papers: Polymorphism of two-dimensional antiferromagnets, …
High-temperature solid-state reaction between orthorhombic AgF2 and monoclinic CuF2 (y = 0.15, 0.3, 0.4, 0.5) in a fluorine atmosphere resulted in coexisting solid solutions of Cu-poor orthorhombic and Cu-rich monoclinic phases with…
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…
LuFe$_4$Ge$_2$ crystallizes in the ZrFe$_4$Si$_2$-type structure, hosting chains of Fe-tetrahedra giving rise to geometric frustration and low-dimensionality. The compound orders antiferromagnetically at around 36 K accompanied by a…
A comparative computational study of stability of candidate structures for an as yet unknown silver dichloride AgCl2 is presented. It is found that all considered candidates have a negative enthalpy of formation, but are unstable towards…
The magnetic and magnetostructural properties of the polycrystalline Ce(Fe0.975Ga0.025)2 have been investigated as a function of temperature and magnetic field. In Ce(Fe0.975Ga0.025)2 the magnetic transition from antiferromagnetic (AFM) to…
Starting from the orthorhombic magnetically ordered phase, we investigate the effects of uniaxial tensile and compressive stresses along a, b, and the diagonal a+b directions in BaFe2As2 and CaFe2As2 in the framework of ab initio density…
Based on theoretical calculations, we introduce a new AgIIAgIIIF5 monoclinic polymorph with a rare high spin AgIII. Our analysis of the experimental xray diffraction data available in the literature reveals that this polymorph was likely…
The temperature evolution of the crystal and magnetic structures of ferroelectric sulfide AgCrS2 have been investigated by means of neutron scattering. AgCrS2 undergoes at TN = 41.6 K a first-order phase transition, from a paramagnetic…
Depending on the crystal growth conditions, an orthorhombic (O-type) or a tetragonal (T-type) structure can be found in the solid solution Cs2CuCl4-xBrx (0 < x < 4). Here we present measurements of the temperature-dependent magnetic…
Altermagnets have emerged as a fertile ground for quantum phenomena, but topological phases unifying different quasiparticles remain largely unexplored. Here, we demonstrate that monolayer AgF$_2$ hosts a dual topological state, driven by a…
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…
We have carried out density-functional theory (DFT) calculations to study the magnetic stability of both ferromagnetic (FM) and anti-ferromagnetic (AFM) states in monolayer 1T-CrTe2. Our results show that the AFM order is lower in energy…
We present self flux growth and characterization of single crystalline AlMn$_2$B$_2$. It is an orthorhombic (space group Cmmm), layered material with a plate like morphology. The anisotropic bulk magnetization data, electrical transport and…
We study the temperature and pressure dependence of the structural and electronic properties of the iron pnictide superconductor BaFe2As2. We use density functional theory based Born-Oppenheimer molecular dynamics simulations to investigate…
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…
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…
Unlike the ferropnictide superconductors, which crystallize in a tetragonal crystal structure, binary FeAs forms in an orthorhombic crystal structure, where the local atomic environment resembles a highly distorted variant of the FeAs4…
We have synthesized two iron-pnictide/chalcogenide materials, CuFeTe2 and Fe2As, which share crystallographic features with known iron-based superconductors, and carried out high-pressure electrical resistivity measurements on these…
We measured the electrical resistivity and ac magnetic susceptibility of BaFe2As2 and SrFe2As2 single crystals under pressure using a cubic anvil apparatus. For BaFe2As2, the antiferromagnetic (AF) and structural transitions are suppressed…
Materials that exhibit strongly coupled magnetic order and electronic properties are crucial for both fundamental research and technological applications. However, finding a material that not only shows remarkable magnetoresistive responses…