Related papers: Structural and electronic phase evolution of Tin d…
The structural and electrical properties of Ti-N films deposited by reactive sputtering depend on their growth parameters, in particular the Ar:N2 gas ratio. We show that the nitrogen percentage changes the crystallographic phase of the…
Transition metal perovskite oxides display a variety of emergent phenomena which are tunable by tailoring the oxygen octahedral rotation. SrRuO$_3$, a ferromagnetic perovskite oxide, is well-known to have various atomic structures and…
Vanadium dioxide, an archetypal correlated-electron material, undergoes an insulator-metal transition near room temperature that exhibits electron-correlation-driven and structurally-driven physics. Using ultrafast optical spectroscopy and…
In this work, we have developed economic process to elaborate scalable titanium dioxide nanotube layers which show a tunable functionality. The titanium dioxide nanotube layers was prepared by electrochemical anodization of Ti foil in 0.4…
Molecular dynamics simulations were used to quantify mechanically-induced structural evolution in nanocrystalline Al with an average grain size of 5 nm. A polycrystalline sample was cyclically strained at different temperatures, while a…
Strain engineering is a powerful technology which exploits stationary external or internal stress of specific spatial distribution for controlling the fundamental properties of condensed materials and nanostructures. This advanced technique…
The optical and electrical properties of films made of nanoparticles of indium tin oxide (ITO) are widely studied because of the significance of this material for transparent electrodes, smart windows, and nonlinear optics components. In…
Vanadium oxides are strongly correlated materials which display metal-insulator transitions as well as various structural and magnetic properties that depend heavily on oxygen stoichiometry. Therefore, it is crucial to precisely control…
We simulate the twist of carbon nanotubes using atomic molecular dynamic simulations. The ultimate twist angle per unit length and the deformation energy are calculated for nanotubes of different geometries. It is found that the big tube is…
Uncovering microstructure evolution mechanisms that accompany the long-term operation of solid oxide fuel cells is a fundamental challenge in designing a more durable energy system for the future. To date, the study of fuel cell stack…
Atomic nanolines are one dimensional systems realized by assembling many atoms on a substrate into long arrays. The electronic properties of the nanolines depend on those of the substrate. Here, we demonstrate that to fully understand the…
The modifications in the electronic structure of Ni_{2+x}Mn_{1-x}Ga by Ni doping have been studied using full potential linearized augmented plane wave method and ultra-violet photoemission spectroscopy. Ni 3d related electron states appear…
The influence of strain amplitude, glass stability and thermal fluctuations on shear band formation and yielding transition is studied using molecular dynamics simulations. The model binary mixture is first gradually cooled below the glass…
This study explores the pressure evolution of the double perovskite Ba$_2$NiTeO$_6$ by employing experimental and computational techniques. For the study of structural and vibrational properties, synchrotron X-ray diffraction (XRD) and…
The evolution of porous structure and mechanical properties of binary glasses under tensile loading were examined using molecular dynamics simulations. We consider vitreous systems obtained in the process of phase separation after a rapid…
We describe the evolution of double degenerate binary systems, consisting of components obeying the zero temperature mass radius relationship for white dwarf stars, from the onset of mass transfer to one of several possible outcomes…
The growing library of two-dimensional layered materials is providing researchers with a wealth of opportunity to explore and tune physical phenomena at the nanoscale. Here, we review the experimental and theoretical state-of-art concerning…
Density functional methods have been used to calculate the electronic properties of aligned smalldiameter single-walled carbon nanotubes under hydrostatic pressures. Abrupt pressure induced semiconductor-metal and metal-semiconductor…
Nanocrystalline materials are well known for their beneficial mechanical and physical properties. However, it is of utmost importance to stabilize the microstructure at elevated temperatures to broaden the window of application e.g. by…
The stability and electronic structure of a single monatomic Al wire has been studied using the ab initio pseudopotential method. The Al wire undergoes two structural rearrangements under compression, i.e., zigzag configurations at angles…