Related papers: Magnetic and Electronic Switch in Metal Intercalat…
Intercalated van der Waals (vdW) magnetic materials host unique magnetic properties due to the interplay of competing interlayer and intralayer exchange couplings, which depend on the intercalant concentration within the van der Waals gaps.…
Interlayer coupling is of vital importance for manipulating physical properties, e.g. electronic bandgap, in two-dimensional materials. However, tuning magnetic proper-ties in these materials is yet to be addressed. Here, we found a striped…
The intercalation of metal chlorides, and particularly iron chlorides, into graphitic carbon structures has recently received lots of attention, as it can not only protect this two-dimensional (2D) magnetic system from the effects of the…
The electronic and magnetic structure of CrPS$_{4}$, a 2D magnetic semiconductor is examined by employing the SCAN meta-GGA density functional. We find the resulting magnetic moment and band gap are in excellent agreement with experiment.…
We have developed a new magnetoelectric material based on Ga doped {\alpha}-Fe2O3 in rhombohedral phase. The material is a canted ferromagnet at room temperature and showing magneto-electric properties. The experimental results of electric…
When monolayers of two-dimensional (2D) materials are stacked into van der Waals structures, interlayer electronic coupling can introduce entirely new properties, as exemplified by recent discoveries of moir\'e bands that host highly…
Comprehensive studies of magnetic properties of GdCr3(BO3)4 single crystal have been carried out. The integrals of intrachain and interchain exchange interactions in the chromium subsystem have been determined and the strength of Cr-Gd…
The atomic thickness of two-dimensional (2D) materials provides a unique opportunity to control material properties and engineer new functionalities by electrostatic doping. Electrostatic doping has been demonstrated to tune the electrical…
Low dimensional magnetism has been powerfully boosted as a promising candidate for numerous applications. The stability of the long-range magnetic order is directly dependent on the electronic structure and the relative strength of the…
Based on first-principles calculations, we discover a two-dimensional layered antiferromagnetic (AFM) electride Gd$_2$O, where anionic excess electrons exist in the interstitial spaces between positively charged cationic layers. It is…
Using the density functional theory, we perform a full atomic relaxation of the bulk ferrite with 12.5%-concentration of monoatomic interstitial Cr periodically located at the edges of the bcc Fe$_\alpha$ cell. We show that structural…
Using an evolutionary algorithm in combination with first-principles density functional theory calculations, we identify two-dimensional (2D) CaP$_3$ monolayer as a new Dirac semimetal due to inversion and nonsymmorphic spatial symmetries…
Recently, there has been a rapidly growing interest in two-dimensional (2D) transition metal chalcogenide monolayers (MLs) due to their unique magnetic and electronic properties. By using an evolutionary algorithm and first-principles…
Magnetic topological insulators such as Cr-doped (Bi,Sb)2Te3 provide a platform for the realization of versatile time-reversal symmetry-breaking physics. By constructing heterostructures with N\'eel order in an antiferromagnetic CrSb and…
Interfaces and low dimensionality are sources of strong modifications of electronic, structural, and magnetic properties of materials. FeRh alloys are an excellent example because of the first-order phase transition taking place at…
The challenge of controlling magnetism using electric fields raises fundamental questions and addresses technological needs such as low-dissipation magnetic memory. The recently reported two-dimensional (2D) magnets provide a new system for…
With help of ab initio density functional theory calculation, DFT+U, and hybrid functional HSE06, we revisit the layer dependent electronic structure and magnetic properties of pristine and 3d transition metal Cr doped MoS$_2$ monolayer and…
Two-dimensional (2D) magnetic materials are promising candidates for spintronics and quantum technologies. One extensively studied example is the ferromagnetic (FM) CrI$_3$ monolayer with the honeycomb Cr$^{3+}$ ($t_{2g}^3$, $S$ = 3/2) spin…
Two-dimensional multiferroic van der Waals heterostructures provide a promising platform for the simultaneous control of distinct ferroic orders, with potential applications in magnetoelectric devices and spintronics. The practical…
The emergence of two-dimensional (2D) magnetic crystals and moir\'e engineering has opened the door for devising new magnetic ground states via competing interactions in moir\'e superlattices. Although a suite of interesting phenomena,…