Related papers: Theory for the electromigration wind force in dilu…
The voltage induced driving force on a migrating atom in a metallic system is discussed in the perspective of the Hellmann-Feynman force concept, local screening concepts and the linear-response approach. Since the force operator is well…
Chemical functionalization of graphene holds promise for various applications ranging from nanoelectronics to catalysis, drug delivery, and nano-assembly. In many of these applications it is critical to assess the rates of electromigration…
We investigate the mechanisms involved in the thermomigration of interstitial hydrogen in metals. Using irreversible thermodynamics, we develop a comprehensive mechanistic model to capture the controlling effects. Crucially, through…
Assuming a vacancy-mediated diffusion, a continuum model for electromigration-driven transport of an embedded atom cluster across a surface terrace of a phase-separating A$_x$B$_{1-x}$ surface alloy, such as fcc AgPt(111), is presented.…
Electromigration phenomena in metallic lines are studied by using a biased resistor network model. The void formation induced by the electron wind is simulated by a stochastic process of resistor breaking, while the growth of mechanical…
We present an efficient method for evaluating current-induced forces in nanoscale junctions, which naturally integrates into the non-equilibrium Green's function formalism implemented within density functional theory. This allows us to…
Dislocation velocities and mobilities are studied by Molecular Dynamics simulations for edge and screw dislocations in pure aluminum and nickel, and edge dislocations in Al-2.5%Mg and Al-5.0%Mg random substitutional alloys using EAM…
Accurate prediction of vacancy migration energy barriers, $\Delta E_a$, in multi-component alloys is extremely challenging yet critical for the development of diffusional transformation kinetics needed to model alloy behavior in many…
We explore the effect of faceting on possible mechanisms for mass transport around electromigration voids in aluminum interconnects. Motivated by linear response estimates which suggest that particle flux would be much higher along steps…
Metals in one spatial dimension are described at the lowest energy scales by the Luttinger liquid theory. It is well understood that this free theory, and even interacting integrable models, can support ballistic transport of conserved…
Thermomigration is the driving force for hydrogen transport due to a temperature gradient. It can compete with hydrogen transport induced by stress gradients. While stress-driven hydrogen migration is well established, thermomigration…
The lattice dynamics for NiCo, NiFe, NiFeCo, NiFeCoCr, and NiFeCoCrMn medium to high entropy alloy have been investigated using the DFT calculation. The phonon dispersions along three different symmetry directions are calculated by the…
We present a theoretical investigation of the voltage-driven metal insulator transition based on solving coupled Boltzmann and Hartree-Fock equations to determine the insulating gap and the electron distribution in a model system -- a one…
Single-layer atom or vacancy clusters in the presence of electromigration are studied theoretically assuming an isotropic medium. A variety of distinctive behaviors distinguish the response in the three standard limiting cases of periphery…
Several doped semiconductors, in contrast to heavily-doped silicon and germanium, host extremely mobile carriers, which give rise to quantum oscillations detectable in relatively low magnetic fields. The small Fermi energy in these dilute…
We carry out bond-strength based analysis for the migration barrier ($E_{\rm B}$) of oxygen vacancies in rutile-type 3$d$ transition-metal dioxides by combining density-functional theory (DFT) and the bond-valence model. The covalent and…
The starting formula of Bosvieux and Friedel for the force on an ion in a metal due to an applied voltage is shown to lead to the same description as the linear-response approach used in the field since its introduction by Kumar and…
Direct correlation between temporal structural fluctuations and electron wind force is demonstrated, for the first time, by STM imaging and analysis of atomically-resolved motion on a thin film surface under large applied current (10e5…
Magnon drag effect induced by an applied electric field in ferromagnetic metals is theoretically studied by a microscopic calculation of the force on magnons arising from magnon emission/absorption and scattering due to driven electrons. It…
We couple the Leaky Membrane Model, which describes the diffusion and electromigration of ions in a homogenized porous medium of fixed background charge, with Butler-Volmer reaction kinetics for flat electrodes separated by such a medium in…