Related papers: Stable Half-Metallic Monolayers of FeCl$_2$

Using full-potential linear augmented plane wave method (FP-LAPW) and the density functional theory, we have carried out a systematic investigation of the electronic, magnetic, and cohesive properties of the chalcogenide CrTe in three…

We report studies of in-situ x-ray diffraction (XRD) and electronic properties on the single crystalline of Fe1.05Te compound under high pressure. The results demonstrated that the sample undergoes a pressure-induced lattice collapse in…

The Fe_{x}Co_{1-x}S_{2} system is predicted, on the basis of density functional calculations, to be a half metal for a large range of concentrations. Unlike most known half metals, the half metallicity in this system should be very stable…

Layered IV-VI$_2$ compounds often exist in the CdI$_2$ structure. Using the evolution algorithm and first-principles calculations, we predict a novel layered structure of silicon ditelluride (SiTe$_2$) that is more stable than the CdI$_2$…

We propose here a two-dimensional material based on a single layer of violet or Hittorf's phosphorus. Using first-principles density functional theory, we find it to be energetically very stable, comparable to other previously proposed…

Structural, magnetic, electrical transport, and heat capacity data are reported for single crystals of TlFe1.6Se2. This compound crystallizes in a tetragonal structure similar to the ThCr2Si2 structure, but with vacancies in the Fe layer.…

We have analyzed by means of scanning tunneling microscopy and spectroscopy the atomic and electronic structure of monolayers of 1T-VxPt1-xSe2 alloys grown by molecular beam epitaxy on epitaxial graphene substrates. We have focused on the…

We use anhydrous ferric chloride (FeCl3) to intercalate graphite flakes consisting of 2 to 4 graphene layers and to dope graphene monolayers. The intercalant, staging, stability and doping of the resulting intercalation compounds (ICs) are…

The electronic structure of singly ionized tin (SnII) is partly a one-electron and partly a three-electron system with ground configuration 5s25p. The excited configurations are of the type 5s2nl in the one-electron part, and 5s5p2, 5p3 and…

Due to the low dimensionality in the quantization of the electronic states and degree of freedom for device modulation, two-dimensional (2D) ferromagnetism plays a critical role in lots of fields. In this study, we perform first-principles…

Measurements of electrical resistivity ($\rho$), DC magnetization ($M$) and specific heat ($C$) have been performed on layered oxide Li$_x$CoO$_2$ (0.25$\leq$$x$$\leq$0.99) using single crystal specimens. The $\rho$ versus temperature ($T$)…

To explore new materials for the realization of the quantum anomalous Hall effect (QAHE), we studied electronic, magnetic and topological properties of transition-metal phthalocyanine (TMPc) monolayers in a square lattice. Many of them have…

Room temperature two-dimensional (2D) ferromagnetism is highly desired in practical spintronics applications. Recently, 1T phase CrTe2 (1T-CrTe2) nanosheets with five and thicker layers have been successfully synthesized, which all exhibit…

The existing controversy about the room temperature structure of multiferroic Pb(Fe_1/2Nb_1/2)O_3 is settled using synchrotron powder x-ray diffraction data. Results of Rietveld refinements in the temperature range 300 to 12K reveal that…

Angle-resolved photoemission measurements have been performed on Bi2Ir2O7 single crystals, a prototypical example of the pyrochlore iridates. The density of states, the Fermi surface, and the near Fermi level band dispersion in the plane…

Two-dimensional (2D) half-metallic materials are of great interest for their promising applications in spintronics. Although numerous of 2D half-metals have been proposed theoretically, rarely of them can be synthesized experimentally.…

We performed polarized Raman spectroscopy on mechanically exfoliated few-layer MoTe2 samples and observed both 1T' and Td phases at room temperature. Few-layer 1T' and Td MoTe2 exhibited a significant difference especially in interlayer…

X-ray diffraction experiments were performed on polycrystalline and single-crystal specimens of Ce$_{2}$Fe$_{17}$ at temperatures between 10 K and 300 K. Below $T_{\mathrm{t}}$ = 118$\pm$2 K, additional weak superstructure reflections were…

First principles pseudopotential calculations have been performed for the first time to investigate the phonon dispersion, thermodynamic and optical properties including charge density, Fermi surface, Mulliken population analysis,…

Room temperature ferroelectricity is observed in lattice-matched ~18% ScAlN/GaN heterostructures grown by molecular beam epitaxy on single-crystal GaN substrates. The epitaxial films have smooth surface morphologies and high crystallinity.…