Related papers: Interface characteristics in an {\alpha}+{\beta} t…
The dislocation structures appearing in highly mis-oriented soft/hard grain pairs in near-alpha titanium alloy Ti6242Si were examined with and without the application of load holds (dwell) during fatigue. Dislocation pile-up in a soft grain…
Atomic layer deposition (ALD) is a key technique for the continued scaling of semiconductor devices, which increasingly relies on reproducible and scalable processes for interface manipulation of 3D structured surfaces on the atomic scale.…
Titanium silicide is a key contact material in advanced three-dimensional semiconductor device architectures. Here, we examine the formation of ultrathin Ti-silicide on Si(100) using a combination of non-destructive in-situ and ex-situ ion…
Twinning is an important deformation mode in plastically deformed hexagonal close-packed materials. The extremely high twin growth rates at the nanoscale make atomistic simulations an attractive method for investigating the role of…
We present the electronic band structure of the interfaces $YBa_2Cu_3O_7/GaAs$ (direct gap) and $YBa_2Cu_3O_7/AlAs$ (indirect gap) in different configurations calculated using the Density Functional Theory as in the Wien2k code within the…
The growth process of of (-1012) twins is studied in Magnesium using atomistic simulations. Two twin seeds are considered and both cases, a specific interface, which places face-to-face prismatic and basal planes, plays an important role.…
The electronic structure of interfaces between YBa$_2$Cu$_3$O$_6$ and SrTiO$_3$ is studied using local spin density approximation (LSDA) with intra-atomic Coulomb repulsion (LSDA+U). We find a metallic state in cuprate/titanate…
High-quality dielectric-semiconductor interfaces are critical for reliable high-performance transistors. We report the in-situ metalorganic chemical vapor deposition (MOCVD) of Al$_2$O$_3$ on $\beta$-Ga$_2$O$_3$ as a potentially better…
We report new interferometric observations of the CO (2-1) rotational transition on Titan. We find that the spectrum is best fit by a uniform profile of 52 ppm, with estimated errors of 6 ppm (40 to 200 km) and 12 ppm (200 to 300 km).
We calculate the tension $\sigma$ of the interface between the confined and deconfined phases by the histogram method in SU(3) lattice gauge theory for temporal extents of 4 and 6 using the recent high-statistics data by QCDPAX…
The role that grain boundary (GB) structure plays on the plasticity of interfaces with preexisting cracks and on the interface crack dynamics was investigated using MD for both <100> and <110> aluminum STGBs. In simulations with a crack at…
When insulator LaAlO3 is grown by epitaxy onto a TiO2-terminated {100} surface of insulator SrTiO3, the resulting system has a metallic character. This phenomenon has been associated with an electrostatic frustration at the interface, as…
There has been recent controversy about the magnitude of spin-flipping in the heavy metal Pt, characterized by the spin-diffusion length, lsf(Pt) We propose a resolution of this controversy, and also present evidence for the importance of a…
First-principles calculations demonstrate the evolution of the band alignment at La0.7A0.3MnO3|La1-xAx|TiO2|SrTiO3(001) heterointerfaces, where A = Ca, Sr, or Ba, as the interfacial A-site composition, La1-Ax, is varied from x = 0.5 to x =…
We predict the structural interaction of crystalline solid-melt interfaces using amplitude equations which are derived from classical density functional theory or phase-field-crystal modeling. The solid ordering decays exponentially on the…
The energy level alignment of the two organic materials forming the TTF-TCNQ interface is analyzed by means of a local orbital DFT calculation, including an appropriate correction for the transport energy gaps associated with both…
As structural and functional materials, topologically close-packed (TCP) phases of transition metal compounds offer a wide range of attractive properties. Due to their complex crystal structure and the resulting brittleness, the knowledge…
An analysis of the $\alpha$ + core properties of $^{104}$Te along with a global discussion on the $\alpha$-cluster structure above the double-shell closures is presented from the viewpoint of the local potential model. The $\alpha$ + core…
The kinetics of interfaces in alloy solidification pose a classic free boundary problem. This paper introduces an approach that amalgamates the distinctive characteristics of sharp and diffuse interface models. The motion of the diffuse…
Multilayered heterostructures of Ce0.85Sm0.15O2-delta and Y0.16Zr0.92O2-delta of a high crystallographic quality were fabricated on (001) - oriented MgO single crystal substrates. Keeping the total thickness of the heterostructures…