相关论文: One-dimensional magnetism in one-dimensional metal…

Density functional theory calculations have been used to identify stable layered Li-$M$-B crystal structure phases derived from a recently proposed binary metal-sandwich (MS) lithium monoboride superconductor. We show that the MS lithium…

X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) were used to probe the oxidation state and element specific magnetic moments of Mn in Heusler compounds with different crystallographic structure. The results…

This study investigates methods for controlling the physical properties of the intrinsic magnetic topological insulator MnBi$_2$Te$_4$ (MBT) by substituting Mn with Pb in Mn$_{1-x}$Pb$_x$Bi$_2$Te$_4$ (MPBT) solid solutions. This…

We present results for the electronic and magnetic structure of Mn and Fe clusters on Nb(110) surface, focusing on building blocks of atomic chains as possible realizations of topological superconductivity. The magnetic ground states of the…

We have performed the first ab-initio calculations of a possible complex non-collinear magnetic structure in aluminium-rich Al-Mn liquids within the real-space tight-binding LMTO method. In our previous work we predicted the existence of…

Two-dimensional van der Waals MnBi$_{2n}$Te$_{3n+1}$ (n = 1, 2, 3, 4) compounds have been recently found to be intrinsic magnetic topological insulators rendering quantum anomalous Hall effect and diverse topological states. Here, we…

We have studied the electronic structure of the molecular ferromagnet $\beta$-Mn phthalocyanine ($\beta$-MnPc) in a polycrystalline form, which has been reported to show ferromagnetism at T$<$8.6 K, by x-ray absorption spectroscopy (XAS)…

We systematically investigate the structural, electronic and magnetic properties of Mn$_n$ clusters ($n =$ 2$-$20) within the {\it ab-initio} pseudopotential plane wave method using generalized gradient approximation for the…

The mixed spin-1 and spin-1/2 Heisenberg octahedral chain with regularly alternating monomeric spin-1 sites and square-plaquette spin-1/2 sites is investigated using variational technique, localized-magnon approach, exact diagonalization…

The electronic structure is found to be understandable in terms of free-atom term values and universal interorbital coupling parameters, since self-consistent tight-binding calculations indicate that Coulomb shifts of the d-state energies…

This thesis investigates the magnetic, spectral, and transport properties of strongly correlated electronic systems, with a primary focus on the Hubbard model and its extensions relevant for real materials. Within the dynamical mean-field…

Electron pairing in one-dimensional binary Hubbard chains is studied for different values of the band-filling using the Density Matrix Renormalization Group method. The systems consist of linear arrays of sites with two types of on-site…

Using ab initio methods based on density functional theory, the electronic and magnetic structure of layered hexagonal NbSe$_{2}$ is studied. In the case of single-layer NbSe$_{2}$ it is found that, for all the functionals considered, the…

Interplay between topology and magnetism induces various exotic quantum phenomena, with magnetic topological insulators (MTIs) serving as a prominent example due to their ability to host the quantum anomalous Hall effect (QAHE). However,…

Crystal growth of MnBi$_{2}$Te$_{4}$ has delivered the first experimental corroboration of the 3D antiferromagnetic topological insulator state. Our present results confirm that the synthesis of MnBi$_{2}$Te$_{4}$ can be scaled-up and…

Magnetic topological semimetals LnSbTe (Ln = Lanthanide) have attracted intensive attention because of the presence of interplay between magnetism, topological, and electron correlations depending on the choices of magnetic Ln elements.…

This study investigates the influence of chemical bonds on the magnetic structure of materials, a less explored area compared to their effect on crystal stability. By analyzing the strength and directionality of chemical bonds using the…

Here we report the evolution of structural, magnetic and transport properties in MnBi$_{2-x}$Sb$_x$Te$_4$ (0$\leq x \leq$2) single crystals. MnSb$_2$Te$_4$, isostructural to MnBi$_2$Te$_4$, has the lattice parameters of…

Scanning tunnelling microscopy and density functional theory studies of manganese chains adsorbed on Cu$_2$N/Cu (100) reveal an unsuspected electronic edge state at $\sim 1$ eV above the Fermi energy. This Tamm-like state is strongly…

Flat band systems in condensed matter physics are intriguing because they can exhibit exotic phases and unconventional properties. In this work, we studied three correlated magnetic systems, Na$_2$BaX(PO$_4$)$_2$ (X = Mn, Co, Ni), and…