相关论文: Hematite at its thinnest limit

The electronic and the optical properties of metallic nitride (MN) monolayers are studied using a DFT formalism. In most of these monolayers, the electron density of the metallic atoms is much higher than that of the nitride atoms, and…

Motivated by recent experimental results in ultra-thin helimagnetic Holmium films, we have performed an extensive classical Monte Carlo simulation of films of different thickness, assuming a Hamiltonian with six inter-layer exchange…

Alumina (Al$_{2}$O$_{3}$) is a key material for thin-film growth and heterogeneous catalysis, where the atomic surface structure critically impacts performance. Using noncontact atomic force microscopy (nc-AFM) combined with density…

The electronic structure and magnetism of a new magnetic intercalation compound (Li0.8Fe0.2)OHFeSe are investigated theoretically. The electronic structure calculations predict that the Fe in the (Li,Fe)OH intercalated layer is in +2…

Quantum Monte Carlo simulations at zero temperature of an ensemble of He-3 atoms adsorbed on Mg and Alkali substrates yield strong evidence of a thermodynamically stable liquid He-3 monolayer on all Alkali substrates, with the possible…

Orhorhombic $\alpha$-MoO$_3$ is a layered oxide with various applications and with excellent potential to be exfoliated as a 2D ultrathin film or monolayer. In this paper, we present a first-principles computational study of its vibrational…

Spinel ferrites in general show a rich interplay of structural, electronic, and magnetic properties. Here, we particularly focus on zinc ferrite (ZFO), which has been observed experimentally to crystallise in the cubic $normal$ spinel…

We use density functional theory and Monte Carlo lattice simulations to investigate the structure of ZrO$_{2}$ monolayers on Si(001). Recently, we have reported on the experimental growth of amorphous ZrO$_{2}$ monolayers on silicon and…

The ZrSiS-class of layered materials offer interesting topological and magnetic characteristics suitable for spintronics applications. In this work, we have synthesized a polycrystalline NdBiTe using solid-state reaction technique and have…

The combination of charge and spin degrees of freedom with electronic correlations in condensed matter systems leads to a rich array of phenomena, such as magnetism, superconductivity, and novel conduction mechanisms. While such phenomena…

Binary compound FeGe hosts multiple structures, from cubic and hexagonal to monoclinic. Compared to the well-known skyrmion lattice in the cubic phase and the antiferromagnetic charge-density wave in the hexagonal phase, the monoclinic FeGe…

In 2016, bulk tellurium was experimentally observed as a remarkable thermoelectric material. Recently, two-dimensional (2D) tellurium, called tellurene, has been synthesized and has exhibited unexpected electronic properties compared with…

Antimonene -- a single layer of antimony atoms -- and its few layer forms are among the latest additions to the 2D mono-elemental materials family. Numerous predictions and experimental evidence of its remarkable properties including…

Density functional theory (DFT) calculations confirm that the structurally ordered Fe$_2$VAl Heusler alloy is nonmagnetic narrow-gap semiconductor. This compound is apt to form various disordered modifications with high concentration of…

MnTe has recently emerged as a canonical altermagnet, a newly identified class of magnetism characterized by compensated antiferromagnetic order coexisting with spin-split electronic bands, traditionally considered exclusive to…

Multiferroic hexagonal rare-earth ferrites (h-RFeO3, R=Sc, Y, and rare earth), in which the improper ferroelectricity and canted antiferromagnetism coexist, have been advocated as promising candidates to pursue the room-temperature…

The magnetic properties of trilayers consisting of a diluted magnetic alloy, CuMn (Cu0.99Mn0.01), a soft ferromagnet, Py(Ni0.8Fe0.2), and an antiferromagnet, alpha-Fe2O3, were investigated. The samples, grown by UHV magnetron sputtering,…

Inspired by the recently synthesized hexagonal layered phase of FeF$_2$, we studied the magnetic properties of the 1T-FeF$_2$ monolayer and its Janus Fe$X$F ($X$ = O, S) derivatives by first-principles calculations. Our results confirm that…

Few layers Fe$_3$GeTe$_2$ is currently the only atomically thin ferromagnetic metal, and thus has drawn huge attention in the field of two-dimensional (2D) magnetism. In this paper, we perform a systematic first principle study on the…

Slow oscillations of the interlayer magnetoresistance observed in the layered organic metal $\beta $-(BEDT-TTF)$_2$IBr$_2$ are shown to originate from the slight warping of its Fermi surface rather than from independent small cyclotron…