Related papers: Energy of Ni/Ni$_{3}$Al Interface: a Temperature-D…
Metals which can form intermetallic compounds by an exothermic reaction constitute a class of reactive materials with multiple applications. Ni-Al laminates of thin alternating layers are being considered as model nanometric metallic…
We present a method to systematically locate and extract capacitive and inductive losses in superconducting resonators at microwave frequencies by use of mixed-material, lumped element devices. In these devices, ultra-low loss titanium…
The contribution of a $\pi \pi$-exchange three-body force to the three-nucleon binding energy is calculated in terms of a $\pi N$ amplitude. The latter is based on a meson-theoretical model of $\pi N$ interaction developed by the J\"ulich…
We have investigated the temperature-dependent changes in the near-$E$$_F$ occupied and unoccupied states of Pr$_{0.67}$Ca$_{0.33}$MnO$_3$ which shows the presence of ferromagnetic and antiferromagnetic phases. The temperature-dependent…
The model suggested by Love and Franey for description of the nucleon-nucleon interaction was used as the base. The new fitting of the model parameters was done in the energy range from 100 MeV up to 1100 MeV. It is based on the modern…
We studied LaAlO3/SrTiO3 interfaces for varying LaAlO3 thickness by core-level photoemission spectroscopy. In Ti 2p spectra for conducting "n-type" interfaces, Ti3+ signals appeared, which were absent for insulating "p-type" interfaces. The…
In this work we study the ice-water interface under coexistence conditions by means of molecular simulations using the TIP4P/2005 water model. Following the methodology proposed by Hoyt and co-workers [J. J. Hoyt, M. Asta and A. Karma,…
Metal-insulator transitions strongly coupled with lattice were found in Bi1-xLaxNiO3. Synchrotron X-ray powder diffraction revealed that pressure (P ~ 3 GPa, T = 300 K), temperature (T ~ 340 K, x = 0.05), and La-substitution (x ~ 0.075, T =…
The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations.…
The enhancement of Neel temperature ($T_N$) of low-$T_{N}$ antiferromagnets in antiferromagnetic bilayers AF1/AF2, where the $T_N$ of AF1 is larger than AF2 (for example enhancement of $T_{N}$ of CoO in CoO/NiO or FeO in FeO/CoO), is a…
Measurements of current-voltage (I-V) characteristics of a high quality Al/Al$_2$O$_3$/Al junction at temperatures ranging from 3.5 K to 300 K have been used to extract the barrier properties. Fitting results using Simmons' model led to a…
The theory of the interaction of electrons with acoustic phonons in multilayer nitride-based AlN/GaN nanostructures was developed for the first time at $T\geqslant 0$ using the method of finite-temperature Green's functions and Dyson…
Interface by definition is two-dimensional (2-D) as it separates 2 phases with an abrupt change in structure and chemistry across the interface. The interface between a metal and its nitride is expected to be atomically sharp, as chemical…
Al(110) has been studied for temperatures up to 900 K via ensemble density-functional molecular dynamics. The strong anharmonicity displayed by this surface results in a negative coefficient of thermal expansion, where the first interlayer…
We report results of fully non-perturbative, Path Integral Monte Carlo (PIMC) calculations for dilute neutron matter. The neutron-neutron interaction in the s channel is parameterized by the scattering length and the effective range. We…
A combination of experimental techniques and molecular dynamics (MD) computer simulation is used to investigate the diffusion dynamics in Al80Ni20 melts. Experimentally, the self-diffusion coefficient of Ni is measured by the long-capillary…
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…
We present a partial free energy profile for the homogeneous nucleation of ice using an all-atom model of water at low supercooling, at which ice growth dynamics are reasonably accessible to simulation. We demonstrate that the free energy…
We present an experimental study of the superconducting properties of NiBi3 as a function of pressure by means of resistivity and magnetization measurements and combine our results with DFT calculations of the band structure under pressure.…
We study thermodynamics of the 3D Hubbard model at half filling on approach to the N\'eel transition by means of large-scale unbiased Diagrammatic Determinant Monte Carlo simulations. We obtain the transition temperature in the strongly…