Related papers: Surface Orientation Strengthening in Metallic Nano…
Using the plane-wave pseudopotential method within the framework of density functional theory, Co$_2$MnAl (100), (110), and (111) surfaces with different atomic terminations have been studied in the context of some key spintronics…
Mechanical deformations, either spontaneously occurring during sample preparation or purposely induced in their nanoscale manipulation, drastically affect the electronic and optical properties of transition metal dichalcogenide monolayers.…
Bicontinuous nanoporous materials possess remarkable mechanical properties, such as higher specific strength and lower specific modulus compared to fully dense materials combined with low densities and high specific surface areas.…
We present a first-principles study of the electronic properties of silicon clathrate nanowires intercalated with various types of alkali or alkaline-earth atoms. We find that the band structure of the nanowires can be tuned by varying the…
In this work, we conducted molecular dynamics simulations to study the fracture mechanism of ice crystals in a bulk phase and at ice-ice interfaces at the atomistic scale. We show that there exists a narrow disordered interfacial layer…
By using density functional theory, we have studied vibrational features, Raman activities, and electronic properties of ultrathin hydrogen-passivated diamond nanowires (H-DNWs). Confinement imposes the softening of transverse acoustic…
Nanowires with very different size, shape, morphology and crystal symmetry can give rise to a wide ensemble of magnetic behaviors whose optimization determines their applications in nanomagnets. We present here an experimental work on the…
Symmetric minima of surface potential energy of a nanocatalyst act as nucleation sites for chirally selective initial growth of single walled carbon tubes at low temperatures. The nucleation sites are sites of maximum coordination number of…
Two possible mechanisms of surface plasmon (SP) oscillations damping in metallic nanoparticles (MNPs), not connected with electron-phonon interaction are investigated theoretically: a) the radiation damping of SP, b) resonant coupling of SP…
The role of reduced dimensionality and of the surface on electron-phonon (e-ph) coupling in silicon nanowires is determined from first principles. Surface termination and chemistry is found to have a relatively small influence, whereas…
The recent discovery of excellent thermoelectric properties and topological surface states in SnTe-based compounds has attracted extensive attention in various research areas. Indium doped SnTe is of particular interest because, depending…
Nanowires with helical surface states represent key prerequisites for observing and exploiting phase-coherent topological conductance phenomena, such as spin-momentum locked quantum transport or topological superconductivity. We demonstrate…
The surface of a three dimensional topological insulator (TI) hosts surface states whose properties are determined by a Dirac-like equation. The electronic system on the surface of TI nanowires with polygonal cross-sectional shape adopts…
The morphology evolution of Si (100) surfaces under 1200 eV Ar+ ion bombardment at normal incidence with and without metal incorporation is presented. The formation of nanodot patterns is observed only when the stationary Fe concentration…
This work investigates the mechanisms of crystal nucleation in metal melts, in dependence on the influence of their shape and volume. Investigations were conducted on both thin flat and bulk samples prepared of low-temperature Wood's metal…
Molecular Dynamics (MD) simulations have been carried out to investigate the deformation behaviour of <110>/{111} body centered cubic (BCC) Fe nanowires under tensile and compressive loading. An embedded atom method (EAM) potential was used…
This work investigates the magneto-transport properties of exfoliated NiTe2 nano-flakes with varying thicknesses and disorder levels, unveiling two distinct physical mechanisms governing the observed anisotropic linear magnetoresistance…
We extend quantum models of nanowire surface scattering to incorporate bulk resistivity and extract an expression for the increased resistivity due to surface roughness. To learn how to improve conductivity, we calculate conductivity…
Fluorescent nanodiamonds (NDs) are crystal defect-based light-emitting nanoparticles that can be applied to quantum information science and quantum sensing. Of particular interest are nitrogen vacancy (NV) centers that allow optical access…
We employ a multiple scattering expansion to systematically derive curvature corrections to the Casimir-Polder (CP) interaction between small an-isotropic particles and general magneto-dielectric surfaces. Our results, validated against…