相关论文: In-plane ordering and tunable magnetism in Cr-base…

Magnon-exciton coupling provides an unprecedented opportunity for the optical tunability of spin information and, viceversa, for the magnetic control of the optical response. Few-layered magnets are an ideal platform for the experimental…

MXenes are an emerging class of 2D materials of interest in applications ranging from energy storage to electromagnetic shielding. MXenes are synthesized by selective etching of layered bulk MAX phases into sheets of 2D MXenes. Their…

Manganese-based MXenes are promising two-dimensional materials due to the broad palette of their magnetic phases and the possibility of experimental preparation because the corresponding MAX phase was already prepared. Here, we…

Investigation of structure-property relations in chemically and magnetically disordered materials can give rise to interesting physical phenomena. The potential of two-dimensional MXenes as electrodes in supercapacitor applications have…

We examine the stability of magnetic order in a classical Heisenberg model with quenched random exchange couplings. This system represents the spin degrees of freedom in high-$T_\textrm{c}$ compounds with immobile dopants. Starting from a…

We report a strain-controlled tuning of magnetism in transition-metal-atom-decorated graphene. Our first-principles calculations demonstrate that strain can lead to a sudden change in the magnetic configuration of a transition metal (TM)…

This letter predicts unprecedented order-to-disorder transition behaviors in multicomponent MXenes using an integrated and improved first-principles Monte Carlo (MC) framework. The improvements include (i) structural relaxation and (ii)…

The exchange interactions and magnetic structure in layered system CuMnO2 (mineral crednerite) and in nonstoichiometric system Cu1.04Mn0.96O2, with triangular layers distorted due to orbital ordering of the Mn3+ ions, are studied by…

The recent observations of ferromagnetic order in several two-dimensional (2D) materials have generated an enormous interest in the physical mechanisms underlying 2D magnetism. In the present prospective article we show that Density…

Gate-controllable two dimensional systems with in-plane modulation of properties could serve as highly tunable effective media. Intuitively, such systems may bring novel functionality provided that the period of the lateral modulation is…

Theoretical prediction of the 2nd-order magnetic transition temperature (TM) used to be arduous. Here, we develop a first principle-based, fully automatic structure-to-TM method for two-dimensional (2D) magnets whose effective Hamiltonians…

The identification of materials supporting complex, tunable magnetic order at ambient temperatures is foundational to the development of new magnetic device architectures. We report the design of Mn2XY tetragonal inverse Heusler alloys that…

The Ce(1-x)LaxCrGe3 (x = 0, 0.19, 0.43, 0.58 and 1) intermetallic compound system has been investigated by magnetization measurements and neutron scattering techniques to determine the effect of La-doping on the magnetic ordering and…

We use a data-driven approach to study the magnetic and thermodynamic properties of van der Waals (vdW) layered materials. We investigate monolayers of the form A$_2$B$_2$X$_6$, based on the known material Cr$_2$Ge$_2$Te$_6$, using density…

High energy density magnets are preferred over induction magnets for many applications, including electric motors used in flying rovers, electric vehicles, and wind turbines. However, several issues related to cost and supply with…

Density functional theory simulations with conventional (PBE) and hybrid (HSE06) functionals were performed to investigate the structural and electronic properties of MXene monolayers, \ce{Ti_{n+1}C_n} and \ce{Ti_{n+1}N_n} ($n$ = 1--9) with…

The electronic structure and magnetic properties of La_{1-x}A_{x}MnO_3 are investigated. It is assumed that, at the outermost layer, the environment of the Mn ions does not have cubic symmetry. The e_g orbitals are split and the double…

The electronic structure and magnetic properties of the 2H-NbS$_2$ compound intercalated by Cr, Mn and Fe, have been investigated by means of the Korringa-Kohn-Rostoker (KKR) method. The calculations demonstrate easy plane…

In-plane magnetic fields offer a relatively unexplored opportunity to alter the band structure of stacks of 2D materials so that they exhibit desired physical properties. Here we show that an in-plane magnetic field combined with a…

The work reports nonmagnetic behavior (0.04 $\mu$B) in two-dimensional (2D) V2C-OF MXene and ferromagnetism in MnO$_2$ adsorbed V2C-OF MXene. The density functional theory (DFT) calculations were carried out to study the magnetic moments of…