相关论文: Strain-induced phase transition in CrI$_{3}$ bilay…
Electrical control of magnetism of a ferromagnetic semiconductor offers exciting prospects for future spintronic devices for processing and storing information. Here, we report observation of electrically modulated magnetic phase transition…
Using density functional theory calculations we establish the hitherto unknown compound CrCTe$_3$ to be a stable anti-ferromagnetic semiconductor in the R$\bar{3}$ crystal structure with an indirect fundamental gap . Successive layers in…
The influence of hydrostatic pressure and ab-plane strain on the magnetic structure of FeTe is investigated from first principles. The results of calculations reveal a phase transition from antiferromagnetic double-stripe ordering at…
Understanding magnetoelectric coupling in emerging van der Waals multiferroics is crucial for developing atomically thin spintronic devices. Here, we present a comprehensive first-principles investigation of magnetoelectric coupling in…
In bilayer CrI3, experimental and theoretical studies suggest that the magnetic order is closely related to the layer staking configuration. In this work, we study the effect of dynamical lattice distortions, induced by non-linear phonon…
We investigate magnetic properties of CrTe$_2$ within the density functional theory (DFT) approach in ferromagnetic phase and combination of DFT and dynamical mean field theory (DFT+DMFT) approach in paramagnetic phase. We show that few…
On the basis of first-principles calculations we study the effect of interfacial Cr on the magnetoelectric properties of a composite multiferroic Fe_L/BaTiO_3(001), with the Fe thickness L=1,2 monolayers. The use of the CrO_2-terminated…
The antiferromagnet Mn$_5$Si$_3$ has recently attracted attention because a noncollinear spin arrangement has been shown to produce a topological anomalous Hall effect and an inverse magnetocaloric effect. Here we synthesize single crystals…
Strain engineering is a very effective method to tune electronic, optical, topological and thermoelectric properties of materials. In this work, we systematically study biaxial strain dependence of electronic structures and thermoelectric…
Twisting in bilayers introduces structural chirality with two enantiomers, i.e., left- and right-hand bilayers, depending on the oriented twist angle. The interplay between this global chirality and additional degrees of freedom, such as…
We calculate the Curie temperature of layered ferromagnets, chromium tri-iodide (CrI3), chromium tri-bromide (CrBr3), chromium germanium tri-telluride (CrGeTe3), and the Neel temperature of a layered anti-ferromagnet iron di-chloride…
We propose to tailor exchange interactions in magnetic monolayer films by tuning the adjacent non-magnetic substrate. As an example, we demonstrate a ferromagnetic-antiferromagnetic phase transition for one monolayer Fe on a…
The magnetic structure of a Cr monolayer on a W(110) substrate is investigated by means of first-principles calculations based on the noncollinear spin density functional theory (DFT). As magnetic ground state we find a long-period…
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…
Effective control of magnetic phases in two-dimensional magnets would constitute crucial progress in spintronics, holding great potential for future computing technologies. Here, we report a new approach of leveraging tunneling current as a…
Structural phase transitions in $f$-electron materials have attracted sustained attention both for practical and basic science reasons, including that they offer an environment to directly investigate relationships between structure and the…
First-principles-based atomistic simulations are used to reveal ferroelectric phases and phase transitions induced in a semiconductor ferroelectric, CsGeBr$_3$, by external loads: hydrostatic pressure, uniaxial and biaxial stresses, and…
The two-dimensional (2D) Cu(CrSe$_2$)$_2$ monolayer stands out for its combined ferromagnetic (FM), ferroelectric (FE), and metallic properties, marking itself as a prominent 2D multiferroic metal. This work studies those properties and the…
Synthetic ferrimagnets are an attractive materials class for spintronics as they provide access to all-optical switching of magnetization and, at the same time, allow for ultrafast domain wall motion at angular momentum compensation. In…
The newly discovered altermagnets are unconventional collinear compensated magnetic systems, exhibiting even (d, g, or i-wave) spin-polarization order in the band structure, setting them apart from conventional collinear ferromagnets and…