相关论文: Microscopic origin of ferromagnetism in trihalides…

Few-layer CrI$_3$ is the most known example among two-dimensional (2D) ferromagnets, which have attracted growing interest in recent years. Despite considerable efforts and progress in understanding the properties of 2D magnets both from…

Since thermal fluctuations become more important as dimensions shrink, it is expected that low-dimensional magnets are more sensitive to lattice distortions and phonons than bulk systems are. Here we present a fully relativistic…

We consider the superconducting pairing induced by spin waves exchange in a ferromagnet with both conduction and localized electrons, the latter being described as spins. We use the microscopic Eliashberg theory to describe the pairing of…

We present a detailed study on the microscopic origin of magnetism in suspended and dielectrically embedded CrI$_3$ monolayer. To this end, we down-fold two distinct minimal generalized Hubbard models with different orbital basis sets from…

Magnetization curves of two rectangular metal-organic coordination networks formed by the organic ligand TCNQ (7,7,8,8-tetracyanoquinodimethane) and two different (Mn and Ni) 3d transition metal atoms [M(3d)] show marked differences that…

The development of room-temperature magnetic semiconductors is critical for advancing spintronic technologies, yet van der Waals magnets like CrI3 exhibit intrinsically low Curie temperatures (Tc = 45 K). This study employs first-principles…

Ferromagnetism in Cr-based double perovskites is analyzed using effective model as well as simulation approach. Starting from a microscopic model proposed recently for this class of double perovskites, an effective spin-only model is…

Although chromium trihalides are widely regarded as a promising class of two-dimensional magnets for next-generation devices, an accurate description of their electronic structure and magnetic interactions has proven challenging to achieve.…

The newly discovered 2D magnetic materials provide new opportunities for basic physics and device applications. However, their low Curie temperature (TC) is a common weakness. In this paper, by combining magnetic Hamiltonian, Wannier…

We critically reexamine the problem of interatomic exchange interactions, which describe the total energy change caused by infinitesimal rotations of spins near some equilibrium state. For the small variations, such interactions can be…

Two-dimensional (2D) ferromagnets with high Curie temperature have long been the pursuit for electronic and spintronic applications. CrI3 is a rising star of intrinsic 2D ferromagnets, however, it suffers from weak exchange coupling. Here…

First-principles calculations are used to investigate the magnetic properties of Ti$_{1-x}$Cr$_{x}$N solid solutions. We show that the magnetic interactions between Cr spins that favour antiferromagnetism in CrN is changed upon alloying…

The Gutzwiller technique has long been known as a method to include correlations in electronic structure calculations. Here we implement an ab-initio Gutzwiller+LDA calculation, and apply it to a classic problem, the ferromagnetism of bulk…

We performed the detailed microscopic analysis of the inter-layer magnetic couplings for bilayer CrI$_3$. As the first step toward understanding the recent experimental observations and utilizing them for device applications, we estimated…

We conduct a comprehensive study of three different magnetic semiconductors, CrI$_3$, CrBr$_3$, and CrCl$_3$, by incorporating both few- and bi-layer samples in van der Waals tunnel junctions. We find that the interlayer magnetic ordering,…

In this study, we present an effective tight-binding model for an accurate description of the lowest energy quadruplet of conduction band in a ferromagnetic CrX$_3$ monolayer, tuned to the complementary \textit{ab initio} density functional…

Employing first-principles electronic structure calculations in conjunction with the frozen-magnon method we study the effective exchange interactions and spin waves in local moment ferromagnets. As prototypes we have chosen three…

We build a microscopic model to study the intra- and inter-layer superexchange due to electrons hopping in chromium trihalides ($\mathrm{CrX}_3$, X= Cl, Br, and I). In evaluating the superexchange, we identify the relevant intermediate…

The aim of the paper is to contribute to reaching a deeper understanding of the formation of relativistic effects in altermagnets. The focus of the paper is on the phenomena of weak ferromagnetism (WFM) and relativistic DFT calculations…

We report on a combined experimental and theoretical study on CrI3 single crystals by employing the polarization dependence of resonant inelastic X-ray scattering (RIXS). Our investigations reveal multiple Cr 3d orbital splitting (dd…