相关论文: Gigantic work function in layered AgF2
First-principles calculations of the electronic structure and vibrational modes, in a system of graphene bilayers and trilayers intercalated with alkaline earth atoms, are resented. It is found that, in similarity to the case of…
We report Cu- and F-NMR studies on a four-layered high-temperature superconductor Ba2Ca3Cu4O8F2(0234F(2.0)) with apical fluorine (F-1), an undoped 55 K-superconductor with a nominal Cu2+ valence on average. We reveal that this compound…
Hole-doping of covalent materials has long served as a blueprint for designing conventional high-$T_{\rm c}$ superconductors, but thermodynamic constraints severely limit the space of realizable compounds. Our ab initio results indicate…
In this paper, we report direct patterning of metal nanostructures using an embossed solid electrochemical stamp. Microforming of solid superionic stamps using Si templates-analogous to polymer patterning in nano-imprint lithography-is…
\textit{Ab initio} calculations within the density functional theory formalism are performed to investigate the stability and electronic properties of fluorinated bilayer graphene (bilayer fluorographene). A comparison is made to previously…
Among the large number of promising two-dimensional (2D) atomic layer crystals, true metallic layers are rare. Through combined theoretical and experimental approaches, we report on the stability and successful exfoliation of atomically…
We investigate the electronic structures of iron-based superconductors having perovskite-like blocking layers, %Ca$_4$Al$_2$O$_6$Fe$_2$(As$_{1-x}$P$_x$)$_2$ from first principles. Ca$_4$Al$_2$O$_6$Fe$_2$P$_2$ and…
Monofilamentary MgB2-wires with a mechanical tough Nb/Cu/steel or Fe/steel sheath were prepared and characterized. The steel content was varied to investigate the reinforcement effect and the consequences for the superconducting properties…
The development of integrated photonic circuits utilizing gallium phosphide requires a robust, scalable process for fabrication of GaP-on-insulator devices. Here we present the first GaP photonic devices on SiO$_2$. The process exploits…
Using density-functional-theory we study the electronic and structural properties of a monolayer of Cu on the fcc (100) and (111) surfaces of the late 4d transition metals, as well as a monolayer of Pd on Mo bcc(110). We calculate the…
An undoped cuprate with apical fluorine and inner (i) and outer (o) CuO2-layers is a 60 K superconductor whose Fermi surface (FS) has large n- and p-doped sheets with the SC gap on the n-sheet twice that on the p -sheet (Y. Chen et al.).…
We perform scanning tunneling microscopy/spectroscopy study on the layered iron based superconductor KCa$_2$Fe$_4$As$_4$F$_2$ with a critical temperature of about 33.5 K. Two types of terminated surfaces are generally observed after…
Graphene is the physical realization of many fundamental concepts and phenomena in solid state-physics, but in the long list of graphene remarkable properties, a fundamental block is missing: superconductivity. Making graphene…
In this paper we introduce a novel method for fabricating MgB$_2$/MgO multilayers and demonstrate the potential for using them as a new model for disordered superconductors. In this approach we control the annealing of the MgB$_2$ to yield…
The density functional theory for superconductors developed in the preceding article [cond-mat/0408685] is applied to the calculation of superconducting properties of several elemental metals. In particular, we present results for the…
This work systematically investigates the potential of the hybrid anion semiconductor AgBiSCl2 for photovoltaic and thermoelectric applications, aiming to provide theoretical guidance for high-performance energy conversion devices.…
High-reflectance in many state-of-the-art optical devices is achieved with noble metals. However, metals are limited by losses, and for certain applications, by their high mass density. Using a combination of ab initio and optical transfer…
Two-dimensional (2D) transition metal dinitride (HfN2) has been studied for their optoelectronic, piezoelectric, and thermoelectric properties. Both monolayer and bilayer of HfN2 were studied using density functional theory (DFT) and…
Based on first-principles calculations, electronic properties of edge-functionalized zigzag graphene nanoribbons (ZGNRs) on SiO2 substrate are presented. Metallic or semiconducting properties of ZGNRs are revealed due to various…
Based on electronic structure calculations, we have found that noble metal diborides, AgB2 and AuB2, are potential candidates for conventional BCS-type high temperature superconductors. B 2p density of states dominates at the Fermi level in…