Related papers: Atomic Diffusion in the Surface State of Mott Insu…
Using ab-initio calculations within the framework of Density Functional Theory (DFT), atomic structures and electronic properties of MoS2/HfO2 interface are investigated. The impact of interfacial oxygen concentration on the MoS2/HfO2…
We present the results of a large scale computer simulation of supercooled silica. We find that at high temperatures the diffusion constants show a non-Arrhenius temperature dependence whereas at low temperature this dependence is also…
Metallic Bi2Te3 crystalline sheets with the room-temperature resistivity of above 10 m{\Omega} cm were prepared and their magnetoresistive transport was measured in a field of up to 9 Tesla. The Shubnikov de Haas oscillations were…
We present SO and SO2 observations in the region of the low mass protostar IRAS2/NGC1333. The East-West outflow originating from this source has been mapped in four transitions of both SO and SO2. In addition, CS observations published in…
Polycrystalline bulk Mn:ZnO ceramics with Mn nominal concentrations of 6, 11, 17 and 22 at.% were prepared trough solid-state reaction method and subjected to a heat treatment in reducing atmosphere (Ar (95%) and H2 (5%)). The samples were…
In this work we aim to study the effect of temperature on the mechanical properties of a solid. For this, we have introduced a new first-principles based methodology to obtain the thermal variation of the elastic constants of NiTiSn, a…
We report an x-ray photoemission spectroscopy study of Ca$_2$RuO$_4$ surface-dosed with Cs alkali atoms and C$_{60}$ molecules. Due to its small ionization energy (large electron affinity), deposited Cs atoms (C$_{60}$ molecules) are…
The superfluid to Mott insulator transition in cavity polariton arrays is analyzed using the variational cluster approach, taking into account quantum fluctuations exactly on finite length scales. Phase diagrams in one and two dimensions…
Self-diffusion and impurity diffusion both play crucial roles in the fabrication of semiconductor nanostructures with high surface-to-volume ratios. However, experimental studies of bulk-surface reactions of point defects in semiconductors…
$VO_2$ undergoes the insulator-metal transition (IMT) and monoclinic-rutile structural phase transition (SPT) near $67^oC$. The IMT switching has many applications. However, there is an unresolved issue whether the IMT is a Mott transition…
We investigate the effects of condensation and liquid water loading on the stably stratified surface layer, with an eye towards understanding the influence of turbulent mixing on fog formation. Direct numerical simulations (DNS) of dry and…
We present the results of large scale computer simulations in which we investigate the static and dynamic properties of sodium disilicate and sodium trisilicate melts. We study in detail the static properties of these systems, namely the…
In topological insulators (TIs), metallic surface conductance saturates the insulating bulk resistance with de- creasing temperature, resulting in resistivity plateau at low temperatures as a transport signature originating from metallic…
We have used the indium/copper surface alloy to study the dynamics of surface vacancies on the Cu(001) surface. Individual indium atoms that are embedded within the first layer of the crystal, are used as probes to detect the rapid…
Nickel substitution at the cobalt site in NaxCoO2 induces a Metal Insulator Transition (MIT) and the temperature at which this occurs (TMIT) increases with Ni content. Low temperature far infrared measurements on polycrystalline samples of…
Large-scale atomistic simulations using the reactive empirical bond order force field approach is implemented to investigate thermal and mechanical properties of single-layer (SL) and multi-layer (ML) molybdenum disulfide (MoS$_2$). The…
A two-dimensional crystal of repulsive dipolar particles is studied in the vicinity of its melting transition by using Brownian dynamics computer simulation, dynamical density functional theory and phase-field crystal modelling. A vacancy…
We present a general theory of atomic self-diffusion in the vicinity of a Mott metal-insulator transition in fluid metals. Upon decreasing the electron correlation from the Mott insulating phase, the delocalization of electrons gives rise…
Despite the concerted effort of several research groups, a detailed experimental account of defect dynamics in high-quality single- and few-layer transition metal dichalcogenides remain elusive. In this paper we report an experimental study…
Room and high temperature mechanical properties of reactive magnetron sputtered TaSiN coatings were measured using nanoindentation (between 25C and 500C). Fracture toughness was also evaluated at a similar temperature range using the…