Related papers: One-dimensional magnetism in one-dimensional metal…
We analyze the effects of chemical pressure induced by alkali metal substitution and uniaxial strain on magnetism in the A2Cr3As3 (A = Na, K, Rb, Cs) family of ternary arsenides with quasi-one dimensional structure. Within the framework of…
The experimental realization of time dependent ultracold lattice systems has paved the way towards the implementation of new Hubbard-like Hamiltonians. We show that in a one dimensional two components lattice dipolar Fermi gas the…
We investigate the influence of magnetic order on the proximity-induced superconducting state in the Mn layers of a Mn-Nb(110) heterostructure by using a first-principles method. For this study, we use the recently developed Bogoliubov-de…
One-dimensional (1D) chains offer unique opportunities for nanoelectronics and spintronics, yet their experimental realization remains challenging because 1D motifs are often thermodynamically disfavored relative to higher-dimensional…
Lanthanide borates are widely studied for their optical and magnetic properties. A wide variety of structures are known with 3, 2, 1 and 0 dimensional connectivity of lanthanide ions. Here, we explore Mg$Ln$B$_5$O$_{10}$, with a quasi-1D…
The classification of the ground-state phases of complex one-dimensional electronic systems is considered in the context of a fixed-point strategy. Examples are multichain Hubbard models, the Kondo-Heisenberg model, and the one-dimensional…
A new high symmetry Mn12 oxocarboxylate cluster [Mn12O12(CN-o-C6H4CO2)12(CH3CO2)4(H2O)4]*8CH2Cl2 (1) with mixed carboxylate ligands is reported. It was synthesized by the standard carboxylate substitution method. 1 crystallizes in the…
Small single crystals of Rb$_3$Ni$_2$(NO$_3$)$_7$ were obtained by crystallization from anhydrous nitric acid solution of rubidium nitrate and nickel nitrate hexahydrate. The basic elements of the crystal structure of this new compound are…
As a sister compound and isostructural of MnBi2Te4, the high quality MnSb2Te4 single crystals are grown via solid-state reaction where prolonged annealing and narrow temperature window play critical roles on account of its thermal…
Recently synthesised Ba4NbMn3O12 belong to cluster magnets - systems with tightly bound groups of magnetism ions, in this case Mn3 trimers. Often such magnetic clusters can be described by molecular orbitals (MO), however strong electron…
We have developed a fully microscopic theory of magnetic properties of the prototype molecular magnet Mn12. First, the intra-molecular magnetic properties have been studied by means of first-principles density functional-based methods, with…
Half-semimetals, characterized by their spin-polarized electronic states, hold significant promise for spintronic applications but remain scarce due to stringent electronic and magnetic criteria. Through a combination of transport…
Magnetite is an important mineral with many interesting applications related to its magnetic, electrical and thermal properties. Typically studied by electronic structure calculations, these methods are unable to capture the complex ion…
With the motivation of searching for new superconductors in the Mg-B system, we performed ab initio evolutionary searches for all the stable compounds in this binary system in the pressure range of 0-200 GPa. We found previously unknown,…
We report the coexistence of ferromagnetic and antiferromagnetic phases in the single crystal of Mn$_3$ single-molecule magnet. The coexistent state appears within a certain period of time in the progress of either oxidation or reduction…
We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…
The exploration of two-dimensional (2D) antiferromagnetic (AFM) materials has shown great promise and interest in tuning the magnetic and electronic properties as well as studying magneto-optical effects. The current work investigates the…
We construct a class of exact ground states for correlated electrons on pentagon chains in the high density region and discuss their physical properties. In this procedure the Hamiltonian is first cast in a positive semidefinite form using…
Based on the relativistic spin-polarized density functional theory calculations we investigate the crystal structure, electronic and magnetic properties of a family MnPn2Ch4 compounds, where pnictogen metal atoms (Pn) are Sb and Bi;…
Based on density functional theory, we have systematically studied the structural stability, mechanical properties and chemical bonding of the transition metal borides M3B4 (M=Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) for the first time. All…