Related papers: Work Function Characterization of the Directionall…
The metal-insulator transition (MIT) observed in vanadium dioxide (VO2) has been a topic of great research interest for past decades, with the underlying physics yet not fully understood due to the complex electron interactions and…
We construct a low-energy effective action for a two-dimensional non-relativistic topological (i.e.\ gapped) phase of matter in a continuum, which completely describes all of its bulk electrical, thermal, and stress-related properties in…
The work functions of (001) and (00 -1) surfaces of {\alpha}-Fe_{2}O_{3} are investigated with density functional theory and symmetry slab model. These two surfaces are found to be almost nonpolarized and their work functions are 6.10 eV…
The density linear response function for an inhomogeneous system of electrons in equilibrium with an array of fixed ions is considered. Two routes to its evaluation for extreme conditions (e.g., warm dense matter) are considered. The first…
In the search for novel nanostructured materials for UV plasmonics a limited number of choices can be done. Materials such as aluminum, rhodium, gallium and few others can be used. One of the most interesting application for UV plasmonics…
In this paper the synthesis and study of the structural, morphological, electrical, magnetic and electronic properties of the LaBiFe2O6 novel material are reported. The material was produced using the standard ceramic method. The Rietveld…
Sparse matter is characterized by regions with low electron density and its understanding calls for methods to accurately calculate both the van der Waals (vdW) interactions and other bonding. Here we present a first-principles density…
This work reports an electronic and micro-structural study of an appealing system for optoelectronics: tungsten disulphide WS$_2$ on epitaxial graphene (EG) on SiC(0001). The WS$_2$ is grown via chemical vapor deposition (CVD) onto the EG.…
The magnitude of the work function to bring an electron from a metal into the exclusion zone water layer making hydrophilic contact with the metallic interface is theoretically computed. The agreement with recent experimental measurements…
The DFT/vdW-WF2s1 method based on the generation of localized Wannier functions, recently developed to include the van der Waals interactions in the Density Functional Theory and describe adsorption processes on metal surfaces by taking…
A metal-oxide film can be used as a hydrogen-isotope permeation barrier in the fuel circulation system for nuclear fusion. We fabricated Er$_2$O$_3$ thin film on a type 316L stainless-steel substrate by using a metal-organic chemical vapor…
We present a realistic theoretical treatment of a three-level $\Lambda$ system in a hot atomic vapor interacting with a coupling and a probe field of arbitrary strengths, leading to electromagnetically-induced transparency and slow light…
An approximation for the exchange-correlation energy of reduced-density-matrix-functional theory was recently derived from a study of the homogeneous electron gas (N.N. Lathiotakis, N. Helbig, E.K.U. Gross, Phys. Rev. B 75, 195120 (2007)).…
Thermionic electron emission cathodes are critical components of various high power and high frequency vacuum electronic devices, electron microscopes, e-beam lithographic devices, and thermionic energy converters, which all demand an…
We present a first-principles methodology, within the context of linear-response theory, that greatly facilitates the perturbative study of physical properties of metallic crystals. Our approach builds on ensemble density-functional theory…
Using density functional theory (DFT), the structural, mechanical, electronic, thermal, and optical properties of Hf2AB (A = Pb, Bi) borides were studied, considering the pressure effect up to 50 GPa. The lattice constants were found to be…
We present a study of the melting dynamics of a two-phase eutectic solid. In situ, thin-sample experiments using a transparent eutectic alloy and two-dimensional phase field simulations calibrated for the very same alloy are combined to…
We report about influence of external pressure on electrical resistivity of EuB5.99C0.01, the compound believed to be intrinsically inhomogeneous due to fluctuation of carbon content. Our results show that the low-temperature resistivity…
The preparation of composite materials is promising for concurrent optimization of electrical and thermal transport properties to realize an improved thermoelectric (TE) performance. We report the effect of work function and acoustic…
Perovskite oxides containing transition metals are promising materials in a wide range of electronic and electrochemical applications. However, neither their work function values nor an understanding of their work function physics have been…