Related papers: Stable Half-Metallic Monolayers of FeCl$_2$
Electronic properties of the metallic pyrochlore oxide Cd2Re2O7 are studied by means of electrical resistivity and Hall measurements. Semimetallic band structures are revealed as expected from band structure calculations. It is found that…
We propose through first-principles investigation that GaTeCl monolayer is an excellent two-dimensional multiferroics with giant mechanical anisotropy and ferroelasticity. The calculated phonon spectrum, molecular dynamic simulations, and…
The exploration of superconductivity in low-dimensional materials has attracted intensive attention for decades. Based on first-principles electronic structure calculations, we have systematically investigated the electronic and…
Molten iron chlorides are central to emerging energy technologies, including electrochemical iron production and redox flow batteries. Optimizing their electrochemical performance and transport properties requires atomic-scale structural…
The optical properties of the superconducting single crystal Rb$_{0.8}$Fe$_{1.68}$Se$_2$ with $T_{c}$ $\simeq$ 31 K have been measured over a wide frequency range in the $ab$ plane. We found that the optical conductivity is dominated by a…
In a pressure-temperature (P-T) diagram for synthesizing IrTe2 compounds, the well-studied trigonal (H) phase with the CdI2-type structure is stable at low pressures. The superconducting cubic (C) phase can be synthesized under higher…
The surface atomic and electronic structure after deposition of 1/3 monolayer (ML) Te on Cu(111) was determined using a combination of low-energy electron diffraction (LEED), scanning tunneling microscopy and spectroscopy (STM/STS),…
We have successfully synthesized a new layered iron oxychalcogenide BaFe2OSe2 single crystal. This compound is built up of Ba and Fe-Se(O) layers alternatively stacked along the c-axis. The Fe-Se(O) layers contain double chains of…
\textit{Ab-initio} calculations based on density functional theory (DFT) are performed to study the structural, electronic, and magnetic properties of two-dimensional (2D) free-standing honeycomb CrAs. We show that CrAs has low buckled…
Density functional theory has been applied to investigate the electronic structure and lattice stability of molybdenene monolayer in both its hexagonal and triclinic phases, within ultrasoft pseudopotential approach. In agreement with…
Oxygen solubility in solid iron is extremely low, even at high pressures and temperatures. Thus far, no Fe-O compounds between Fe and FeO endmembers have been reported experimentally. We observed chemical reactions of Fe with FeO or…
First-principles density-functional calculations within the local-density approximation and the pseudopotential approach are used to study and characterize the ferroelastic phase transition in calcium chloride (CaCl_2). In accord with…
Single crystals of tetragonal Fe1.00Se were grown from polycrystalline material by chemical vapor transport reaction at temperatures below 723 K using AlCl3 as transport additive. The plate-shaped single crystals have edge lengths up to 4…
We selectively fabricated monolayers of octahedral (1H) and distorted trigonal (1T') WTe2 on graphene/SiC(0001) by controlling the substrate temperature during epitaxy. Angle-resolved photoemission spectroscopy, combined with…
We present a combined experimental and theoretical study of monolayer VTe2 grown on highly oriented pyrolytic graphite by molecular-beam epitaxy. Using various in-situ microscopic and spectroscopic techniques, including scanning tunneling…
Single-layer pentagonal materials are an emerging family of two-dimensional (2D) materials that could exhibit novel properties due to the building blocks being pentagons instead of hexagons as in numerous 2D materials. Based on our recently…
We report a detailed study of the magnetic, transport, and thermodynamic properties of Ce$_2$Te$_5$ single crystals, a layered $f$-electron van der Waals magnet. Four consecutive transitions at $\sim$ 5.2, 2.1, 0.9, and 0.4 K were observed…
We report the physical properties of Co$_2$CrAl Heusler alloy epitaxial thin films grown on single crystalline MgO(001) substrate using pulsed laser deposition technique. The x-ray diffraction pattern in $\theta$-2$\theta$ mode showed the…
Charge density waves (CDW) in single-layer 1$T$-MTe$_2$ (M= Nb, Ta) recently raised large attention because of the contrasting structural and physical behavior with the sulfide and selenide analogues. A first-principles study of fourteen…
We investigate the electrical properties of nominally undoped, 10-40-nm-thick ScN(111) layers grown on nearly lattice-matched GaN:Fe/Al$_2$O$_3$(0001) templates by plasma-assisted molecular beam epitaxy. Hall-effect measurements yield…