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

In the present work, the structural, magnetic, and electronic properties of the two- and one-dimensional honeycomb structures of recently synthesized MnO [Zhang et al. Nat. Commun., 20, 1073-1078 (2021)] are investigated by using first…

A computational search for stable structures among both $\alpha$ and $\beta$ phases of ternary ATB4 borides (A= Mg, Ca, Sr, Ba, Al, Ga, and Zn, T is 3d or 4d transition elements) has been performed. We found that $\alpha$-ATB4 compounds…

ZrSiS-type materials represent a large material family with unusual coexistence of topological nonsymmorphic Dirac fermions and nodal-line fermions. As a special group of ZrSiS-family, LnSbTe (Ln = Lanthanide rare earth) compounds provide a…

The magnetoresistance (MR) effect in metallic atomic-sized contacts is studied theoretically by means of first-principle electronic structure calculations. We consider three-atom chains formed from Co, Cu, Si, and Al atoms suspended between…

Magnetic properties of metals are investigated through electronic structure calculations based on the recently-proposed magnetic-field-containing relativistic tight-binding approximation (MFRTB) method [Phys. Rev. B \textbf{91}, 075122…

The local structure about the Mn site in the half doped system La0.5Ca0.5MnO3 was measured in magnetic fields up 10 T to probe the melting of the charge ordered state. Examination of the Mn-O and Mn-Mn correlations reveal three distinct…

New hard magnetic materials with zero or low rare earth content are in demand due to the high prices of the rare earth metals. Among the candidates for such materials, we consider MnB, FeB and their alloys, because previous experiments…

We present a comprehensive macroscopic thermodynamic study of the quasi-one-dimensional (1D) $s = \tfrac{1}{2}$ frustrated spin-chain system linarite. Susceptibility, magnetization, specific heat, magnetocaloric effect, magnetostriction,…

Using the density-functional-theory based electronic structure calculations, we study the electronic state of recently discovered mixed-valent manganese oxides $A$Mg$_4$Mn$_6$O$_{15}$ ($A=$ K, Rb, Cs), which are fully spin-polarized…

This study examines the lanthanide calcium oxyborates Ca$_4$LnO(BO$_3$)$_3$ (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Y, Er, Yb). The reported monoclinic structure (space group $Cm$) was confirmed using powder X-ray diffraction. The…

Multi-orbital Hubbard model Hamiltonians for the undoped parent compounds of the Fe-pnictide superconductors are here investigated using mean-field techniques. For a realistic four-orbital model, our results show the existence of an…

The magnetic susceptibility of the quarter-filled one-dimensional extended Hubbard model is calculated using the density-matrix renormalization group technique. It is found that in the charge gap regime of the model ($U> 4t $ and $V > 2t$),…

Manganese monophosphide (MnP) shows complicated magnetic states varying with both temperature and pressure. We calculate the magnetic and electronic structures of MnP at different pressures using first-principles methods and obtain spiral…

One-dimensional spin chain systems have received special attention to discover the novel magnetic ground states and emergent phenomena, while the magnetic studies on rare-earth (RE)-based 1D spin chain materials are still rare. Here, we…

We classify the magnetic ground states of a 2D lattice of localized magnetic moments which are coupled to a superconducting substrate with Rashba-spin-orbit coupling. We discover a rich magnetic phase diagram with surprisingly complex…

Heusler compounds constitute a large family of intermetallic materials notable for their wide variety of properties such as magnetism, multi-ferroicity, nontrivial band topology, superconductivity and so on. Among their magnetic properties…

Metallic ferromagnetism is in general an intermediate to strong coupling phenomenon. Since there do not exist systematic analytic methods to investigate such types of problems, the microscopic origin of metallic ferromagnetism is still not…

Magnetic topological insulators and their heterostructures provide great opportunities in coupling band topology with nontrivial spin configuration for enhanced spintronic device performance as well as designing totally new magnetoelectric…

Recently, the mixed transition metal oxides of the form Li(Ni1-y-zCoyMnz)O2, have become the center of attention as promising candidates for novel battery material. These materials have also revealed very interesting magnetic properties due…

The Mn(Bi$_{1-x}$Sb$_x$)$_2$Te$_4$ series is purported to span from antiferromagnetic (AF) topological insulator at x = 0 to a trivial AF insulator at x = 1. Here we report on neutron diffraction and inelastic neutron scattering studies of…