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The 2D electrons trapped in vacuum near the atomically thin dielectric (ATD, mono- or $N$-layer film of $h$-BN or transition metal dichalcogenide) are considered. ATD is suspended above the back gate and forms the capacitor which is…
The theory of the effect of external fluctuation force on the stability and spatial distribution of mutually interacting and slowly evaporating charged drops, levitated in an electrodynamic balance, is presented using classical…
Modulation of electronic states in two-dimensional (2D) materials can be achieved by using in-plane variations of the band gap or the average potential in lateral quantum structures. In the atomic configurations with hexagonal symmetry,…
Alkali metal $\beta$/$\beta^{\prime\prime}$ aluminas are among the fastest ionic conductors, yet little is understood about the role of defects in the ion transport mechanism. Here, we use density functional theory (DFT) to investigate the…
Liquid metal batteries (LMBs) were recently proposed as cheap large scale energy storage. Such devices are urgently required for balancing highly fluctuating renewable energy sources. During discharge, intermetallic phases tend to form in…
The transport of sputtered aluminum inside a multi frequency capacitively coupled plasma chamber is simulated by means of a kinetic test multi-particle approach. A novel consistent set of scattering parameters obtained for a modified…
Transition metal diborides crystallise in the $\alpha$, $\gamma$, or $\omega$ type structure, in which pure transition metal layers alternate with pure boron layers stacked along the hexagonal [0001] axis. Here we view the prototypes as…
A first principles analysis of order-disorder transition in alloys shows that ordering energy is a function of temperature due to thermal vibrations. The inter-nuclear potential energy term converges if zero point vibrations are…
An experimentally feasible energy-storage concept is formulated based on vorticity (hydro)dynamics within an easy-plane insulating magnet. The free energy, associated with the magnetic winding texture, is built up in a circular easy-plane…
In the present work, we conduct large-scale orbital-free DFT calculations to study the energetics of vacancy clustering in aluminum from electronic structure calculations. The simulation domains considered in this study are as large as…
We report the lattice dynamics of transition metal thin films by using the ultrafast electron diffraction. We observe a suppression of the diffraction intensity in a few picosecond after the photoexcitation, which is directly interpreted as…
We present a theory of carrier-induced ferromagnetism in diluted magnetic semiconductors (III_{1-x} Mn_x V) which allows for arbitrary itinerant-carrier spin polarization and dynamic correlations. Both ingredients are essential in…
An effective mass based model accounting for the conduction band quantization in a high aspect ratio semiconductor nanotip is developed to describe injected electron transport and subsequent electron emission from the nanotip. A transfer…
The energy band structures caused by self-energy shifting that results in bound energy levels broadening and merging in warm dense aluminum and beryllium are observed. An energy band theory for warm dense matter (WDM) is proposed and a new…
Lattice anharmonicity is thought to strongly affect vacancy concentrations in metals at high temperatures. It is however non-trivial to account for this effect directly using density functional theory (DFT). Here we develop a deep neural…
Accurate {\it ab initio} calculations have been carried out to study the valence electron removal energies and oscillator strengths of astrophysically important electromagnetic transitions of quadruply ionized vanadium, $V^{4+}$. Many…
Two-dimensional transition metal dichalcogenides (MX$_2$) vacancy formation energetics is extensively investigated. Within an ab-initio approach we study the MX$_2$ systems, with M=Mo, W, Ni, Pd and Pt, and X=S, Se, and Te. Here we classify…
The ``flow'' of electric currents and heat in standard metals is diffusive with electronic motion randomized by impurities. However, for ultraclean metals, electrons can flow like water with their flow being described by the equations of…
Using a simple theoretical model of a nanoscale asymmetric particle/molecule with asymmetric structure or/and asymmetric charge distribution, here using a charge dipole as an example, we show that there is unidirectional transportation…
Using the plasma model for the metal dielectric function we have calculated the electromagnetic fluctuation induced forces on a free standing metallic film in vacuum as a function of the film size and the plasma frequency. The force for…