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With the objective to understand microscopic principles governing thermal energy flow in nanojunctions, we study phononic heat transport through metal-molecule-metal junctions using classical molecular dynamics (MD) simulations. Considering…
We performed high-temperature luminescence studies of silicon-vacancy color centers obtained by ion implantation in single crystal diamond. We observed reduction of the integrated fluorescence upon increasing temperature, ascribable to a…
We theoretically investigate the transport properties of a weak coherent input field scattered by an ensemble of $\Lambda$-type atoms coupled to a one-dimensional photonic crystal waveguide. In our model, the atoms are randomly located in…
In this work, we present a proof-of-concept investigation of non-equilibrium chemical reaction dynamics at a molecule-electrode interface, driven out of equilibrium by an applied votage bias and mediated by a confined, enhanced vacuum…
Single-crystal diamond cavity optomechanical devices are a promising example of a hybrid quantum system: by coupling mechanical resonances to both light and electron spins, they can enable new ways for photons to control solid state qubits.…
We use recent theoretical advances to develop a new functional form for interatomic forces in bulk silicon. The theoretical results underlying the model include a novel analysis of elastic properties for the diamond and graphitic structures…
We study single silicon vacancy (SiV) centres in chemical vapour deposition (CVD) nanodiamonds on iridium as well as an ensemble of SiV centres in a high quality, low stress CVD diamond film by using temperature dependent luminescence…
A 2D temperature-dependent effective potential is calculated for the interacting longitudinal and transverse $L-$phonons of $\beta$ zirconium in the frozen-phonon model. The effective potentials obtained for different temperatures are used…
We demonstrate a novel method based on the Zeeman splitting of electronic spins to improve the performance for temperature sensing of negatively-charged nitrogen-vacancy (NV) centers in multiple-poly diamond. The theoretical model for…
As a wide bandgap semiconductor, diamond holds both excellent electrical and thermal properties, making it highly promising in the electrical industry. However, its hole mobility is relatively low and dramatically decreases with increasing…
Statistical mechanics underlies our understanding of macroscopic quantum systems. It is based on the assumption that out-of-equilibrium systems rapidly approach their equilibrium states, forgetting any information about their microscopic…
The evolution of electron conductance in the presence of inelastic effects is studied as an atomic gold contact is formed evolving from a low-conductance regime (tunneling) to a high-conductance regime (contact). In order to characterize…
We review recent advances towards the realization of quantum networks based on atom-like solid-state quantum emitters coupled to nanophotonic devices. Specifically, we focus on experiments involving the negatively charged silicon-vacancy…
In the dynamics of atoms and molecules at metal surfaces, electron-hole pair excitations can play a crucial role. In the case of hyperthermal hydrogen atom scattering, they lead to nonadiabatic energy loss and highly inelastic scattering.…
We use vibrational dynamical mean-field theory (VDMFT) to study the vibrational structure of type-I clathrate solids, specifically X$_8$Ga$_{16}$Ge$_{30}$, where X=Ba,Sr. These materials are cage-like chemical structures hosting loosely…
We employ the functional renormalization group to study the effects of phonon-assisted tunneling on the nonequilibrium steady-state transport through a single level molecular quantum dot coupled to electronic leads. Within the framework of…
We investigate the influence of vibrational phonon modes on the entanglement through a quantum dot molecule under the bias voltage-driven field. The molecular quantum dot system can be realized by coupled quantum dots in the middle of the…
We calculate the effect of electron-vibration coupling on conduction through atomic gold wires, which was measured in the experiments of Agra\"it et al. [Phys. Rev. Lett. 88, 216803 (2002)]. The vibrational modes, the coupling constants,…
The recently discovered negatively charged tin-vacancy centre in diamond is a promising candidate for applications in quantum information processing (QIP). We here present a detailed spectroscopic study encompassing single photon emission…
Diamond-based coatings are employed in several technological applications, for their outstanding mechanical properties, biocompatibility, and chemical stability. Of significant relevance is the interface with silicon oxide, where phenomena…