Related papers: {\it Ab initio} Simulation of Silver Transport in …
We present a microscopic picture of silver dynamics in GeSe$_{3}$:Ag glass obtained from {\it ab initio} simulation. The dynamics of Ag is explored at two temperatures, 300K and 700K. In the relaxed network, Ag occupies bond centers between…
In this paper, we present new models of germanium selenide chalcogenide glasses heavily doped with silver. The models were readily obtained with ab initio molecular dynamics and their structure agrees closely with diffraction measurements.…
The structure of Ag-doped GeS3 glasses (0, 15, 20, 25 at.% Ag) was investigated by diffraction techniques and extended x-ray absorption fine structure measurements. Structural models were obtained by fitting the experimental datasets…
Ab initio molecular-dynamics simulations have been used to investigate the structure, dynamics and electronic properties of the liquid alloy Ag(1-x)Se(x) at 1350 K and at the three compositions x=0.33, 0.42 and 0.65. The calculations are…
Ab-initio dynamical simulation is used to study the liquid Ga-Se system at the three concentrations Ga$_2$Se, GaSe and Ga$_2$Se$_3$ at the temperature 1300~K. The simulations are based on the density functional pseudopotential technique,…
In this paper, we discuss the atomistic structure of two conducting bridge computer memory materials, including Cu-doped alumina and silver-doped GeSe$_3$. We show that the Ag is rather uniformly distributed through the chalcogenide glass,…
Ab initio molecular dynamics simulation is used to study the structure and electronic properties of the liquid Ga-Se system at the three compositions Ga$_2$Se, GaSe and Ga$_2$Se$_3$, and of the GaSe and Ga$_2$Se$_3$ crystals. The calculated…
Electrical conductivity of dry, slow cooled (AgPO$_3$)$_{1-x}$(AgI)$_x$ glasses is examined as a function of temperature, frequency and glass composition. From these data compositional trends in activation energy for conductivity E$_A$(x),…
Silver released from TRISO fuel particles can migrate through the SiC layer and deposit on reactor components, posing radiation hazards and operational challenges. Despite numerous proposed mechanisms, the precise pathway of silver…
We study an insulator-metal transition in a ternary chalcogenide glass (GeSe$_3$)$_{1-x}$Ag$_x$ for $x$=0.15 and 0.25. The conducting phase of the glass is obtained by using "Gap Sculpting" (Prasai et al, Sci. Rep. 5:15522 (2015)) and it is…
The structural, magnetotransport, and angle-resolved photoemission spectroscopy (ARPES) of Ag-doped Bi2Se3 single crystals are presented. Temperature dependent resistivity exhibits metallic behavior with a slope change above 200 K for…
Molten salts are high-temperature ionic liquids whose unique combination of strong Coulombic interactions, large polarizabilities, and high ionic conductivities makes them central to energy storage, metallurgy, and nuclear technology.…
Superconductivity in a doped topological insulator (TI) is a very interesting phenomenon and constitute a new finding of the modern day condensed matter physics. Here we have investigated the physical and transport properties of such an…
Single-crystalline \beta-Ag2Se nanostructures, a new class of 3D topological insulators (TIs), were synthesized using the chemical vapor transport method. The topological surface states were verified by measuring electronic transport…
Temperature modulated Alternating Differential Scanning Calorimetric (ADSC) studies show that Se rich Ge0.15Se0.85-xAgx (0 <= x <= 0.20) glasses are microscopically phase separated, containing Ag2Se phases embedded in a Ge0.15Se0.85…
Silver is an important light neutron-capture element whose stellar abundances help constrain the origin of the weak r-process. The Sun is an important reference point for such studies; moreover, being a moderately volatile element in CI…
The photovoltaic characteristics of an ultra-thin GaAs solar cell with gold back reflector are simulated using the standard semi-classical drift-diffusion-Poisson model and an advanced microscopic quantum-kinetic approach based on the…
Angle-resolved photoemission spectroscopy and Auger electron spectroscopy have been applied to study the intercalation process of silver underneath a monolayer of graphite (MG) on Ni(111). The room-temperature deposition of silver on top of…
The adsorption of oxygen on the Ag(001) is investigated by means of density functional techniques. Starting from a characterization of the clean silver surfaces oxygen adsorption in several modifications (molecularly, on-surface,…
This paper reports the effect of Ag-doping on electrical properties of a-Sb2Se3 in the temperature range 240-340 K and frequency range 5 Hz to 100 kHz. The variation of transport properties with thermal doping has been studied. Ag-doping…