相关论文: A first principles study on FeAs single layers

We present theoretically the electronic structure of antiferromagnetic (AFM) FeSe monolayer on TiO$_{2}$ terminated SrTiO$_{3}$(001) surface. It is revealed that the striking disappearance of the Fermi surface around the Brillouin zone (BZ)…

We report the successful growth of tetragonal FeS film with one or two unit-cell (UC) thickness on SrTiO3(001) substrate by molecular beam epitaxy. Large lattice constant mismatch with the substrate leads to high density of defects in…

We have investigated the crystal structures and superconducting properties of thin films of FeSe$_{0.5}$Te$_{0.5}$ grown on eight different substrates. Superconductivity is not correlated with the lattice mismatch; rather it is correlated…

We report optical spectroscopic measurements on electron- and hole-doped BaFe2As2. We show that the compounds in the normal state are not simple metals. The optical conductivity spectra contain, in addition to the free carrier response at…

We demonstrate the growth of epitaxial Fe/Ba(Fe(1-x)Co(x))2As2 (Fe/Ba-122) bilayers on MgO(001) and LSAT(001) single crystal substrates using Pulsed Laser Deposition (PLD). By exploiting the metallic nature of the FeAs tetrahedron in the…

The new discovered iron-based superconductors have chain-like As layers. These layers generate an additional 3-dimensional hole pocket and cone-like electron pockets. The former is attributed to the Ca $d$ and As1 $p_z$ orbitals and the…

Recently reported quasiparticle interference imaging in underdoped Ca(Fe{1-x}Co{x})_2As{2} shows pronounced C{2} asymmetry that is interpreted as an indication of an electronic nematic phase with a unidirectional electron band, dispersive…

We investigate the role of ligand states in the electronic properties of CaFe2As2 using high-resolution hard x-ray photoemission spectroscopy (HAXPES) at different sample temperatures. Experimental results indicate that the binding energy…

By means of first-principle FLAPW-GGA calculations, we have investigated the electronic properties of the newly discovered layered quaternary systems SrFeAsF and CaFeAsF as parent phases for a new group of oxygen-free FeAs superconductors.…

We performed a combined angle-resolved photoemission spectroscopy and scanning tunneling microscopy study of the electronic structure of electron-doped Ca$_{0.83}$La$_{0.17}$Fe$_2$As$_2$. A surface reconstruction associated with the…

One of the unifying concepts in the iron-pnictide superconductors, both for the mechanism of magnetic ordering and of unconventional order parameter character, has been the electron and hole Fermi surfaces that are approximately nested.…

We have studied structural phase transition in BaNi2As2 superconductor with the application of Phosphorous doping based on first principles calculations. Our results reproduce experimental findings and explain some of the experimental…

A surface layer ("skin") that is functionally and structurally different from the bulk was found in single crystals of BiFeO3. Impedance analysis indicates that a previously reported anomaly at T* ~ 275 \pm 5 ^/circC corresponds to a phase…

We show that the layered-structure BaCuS$_2$ is a moderately correlated electron system in which the electronic structure of the CuS layer bears a resemblance to those in both cuprates and iron-based superconductors. Theoretical…

Based on ab-initio calculated parameters, we apply a theoretical model on the iron-based BaFe2As2 superconductor that takes into account dramatic enhancements of the electron-phonon coupling of soft transverse phonons in the FeAs layers and…

Solvothermal intercalation of ethylenediamine molecules into FeSe separates the layers by 1078 pm and creates a different stacking. FeSe(en)0.3 is not superconducting although each layer exhibits the stripe-type crystal structure and the…

We propose a novel approach to model amorphous materials using a first principles density functional method while simultaneously enforcing agreement with selected experimental data. We illustrate our method with applications to amorphous…

Two-dimensional (2D) ferroelectric (FE) materials are promising compounds for next-generation nonvolatile memories, due to their low energy consumption and high endurance. Among them, {\alpha}-In$_{2}$Se$_{3}$ has drawn particular attention…

A distinct electronic structure was observed in the single-layer FeSe which shows surprising high temperature superconductivity over 65k. Here we demonstrate that the electronic structure can be explained by the strain effect due to…

We elucidate the termination surface of cleaved single crystals of the BaFe_(2-x)Co_(x)As_(2) and Fe_(y)Se_(1-x)Te_(x) families of the high temperature iron based superconductors. By combining scanning tunneling microscopic data with low…