Published in Journal of Physics: Condensed Matter
Relativistic calculations of the structural and spectral properties of the PbO molecule can provide fundamental information about the importance of a proper treatment of angular momentum coupling among electrons in order to achieve accurate computational results for spectral properties. Specifically, the nature of these couplings in PbO is expected...
Published in Journal of Physics: Condensed Matter
The magneto-transport properties of two-dimensional (2D) Fe3GeTe2 (FGT) nano-flakes are carefully investigated with the variation of the temperature and the direction of the applied magnetic field (B). Four magnetoresistance (MR) behavior are obtained at different temperatures with B paralleling the flake’s surface, because of the competition betwe...
Published in Journal of Physics: Condensed Matter
Heat transfer through a liquid–vapor interface is a complex phenomenon and crucially relevant in heat-removal and cryogenic applications. The physical coupling among confining walls, liquid and vapor phases is very important for controlling or improving cooling rates or condensation efficiency. Surface modification is a promising route, which has b...
Published in Journal of Physics: Condensed Matter
Sound velocities and thermodynamical properties of hcp iron have been computed using ab initio calculations over an extended density and temperature range, encompassing the conditions directly relevant for the Earth’s inner core. At room temperature, and up to 350 GPa, an excellent agreement is obtained between present results and experimental data...
Published in Journal of Physics: Condensed Matter
We use video microscopy to study the full capture process for colloidal particles transported through microfluidic channels by a pressure-driven flow. In particular, we obtain trajectories for particles as they move from the bulk into confinement, using these to map in detail the spatial velocity and concentration fields for a range of different fl...
Published in Journal of Physics: Condensed Matter
Using x-ray pair distribution function (PDF) analysis and computer modeling, we explore structure models for the complex charge density wave (CDW) phases of layered 1T-TaS2 that both well capture their atomic-level features and are amenable to electronic structure calculations. The models give the most probable position of constituent atoms in term...
Published in Journal of Physics: Condensed Matter
We report the temperature dependence of the Yb valence in the geometrically frustrated compound YbB4 from 12 to 300 K using resonant x-ray emission spectroscopy at the Yb Lα1 transition. We find that the Yb valence, v, is hybridized between the v = 2 and v = 3 valence states, increasing from v=2.61±0.01 at 12 K to v=2.67±0.01 at 300 K, confirming t...
Published in Journal of Physics: Condensed Matter
Helium (3He) spin-echo is a powerful experimental technique used to probe ultra-fast atomic scale surface dynamics. The analysis of these measurements is typically performed assuming there is only a single spin-echo condition, expected to produce a constant signal for pure elastic scattering, a monotonically decaying signal for quasi-elastic scatte...
Published in Journal of Physics: Condensed Matter
This article complements an earlier topical review of the chemical bond (Jones 2018 J. Phys.: Condens. Matter 30 153001), starting in the mid-19th century and seen from the perspective of a condensed matter physicist. The discussion of applications focused on the structure and properties of phase change materials. We review here additional aspects ...
Published in Journal of Physics: Condensed Matter
In this study we have designed a spin caloritronic device based on boron doped armchair graphene nanoribbons (B2-7AGNR). In presence of ferromagnetic (FM) graphitic-carbon nitride (g-C4N3) electrodes the spin-thermoelectric features of the device, both for FM and antiferromagnetic (AFM) states, are studied using first principle calculations. The sp...
