Related papers: Phononic and electronic features of diamond nanowi…
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 acoustic modes of diamond not only are of profound significance for studying its thermal conductivity, mechanical properties and optical properties, but also play a determined role in the performance of high-frequency and high-power…
The surface conductivity of hydrogen-terminated diamond is a topic of great interest from both scientific and technological perspectives. This is primarily due to the fact that the conductivity is exceptionally high without the need for…
We introduce a computational approach to estimate the hardness and stiffness of diamond surfaces and nanoparticles by studying their elastic response to atomic nanoindentation. Results of our ab initio density functional calculations…
Despite extensive investigations, many aspects of charge density waves (CDWs) remain elusive, especially the relative roles of electron-phonon coupling and Fermi surface nesting as the underlying driving mechanisms responsible for the…
Domain walls (DWs) in ferroic materials, across which the order parameter abruptly changes its orientation, can host emergent properties that are absent in the bulk domains. Using a broadband ($10^6-10^{10}$ Hz) scanning impedance…
We used the Hartree-Fock approximation to classify the electronic phases that might occur in a transition metal nanowire. The important features of this situation are orbital degeneracy (or near-degeneracy) and interactions favoring locally…
We report a first principles systematic study of atomic, electronic, and magnetic properties of hydrogen saturated silicon nanowires (H-SiNW) which are doped by transition metal (TM) atoms placed at various interstitial sites. Our results…
According to the hydrodynamic Drude model, surface-plasmon resonances of metallic nanostructures blueshift owing to the nonlocal response of the metal's electron gas. The screening length characterising the nonlocal effect is often small…
Nitrogen vacancy (NV) centers in diamond have emerged in recent years as leading quantum sensors in various modalities. Most applications benefit from shallow NVs, enabling higher sensitivity and resolution. However, near surface NVs ($<$…
We investigate the possible occurrence of field-effect induced superconductivity in the hydrogenated $(111)$ diamond surface by first-principles calculations. By computing the band alignment between bulk diamond and the hydrogenated surface…
Recent studies have theoretically investigated the atomic excitation and ionization induced by the dark matter (DM)-nucleus scattering, and it is found that the suddenly recoiled atom is much more likely to excite or lose its electrons than…
We settle a general expression for the Hamiltonian of the electron-phonon deformation potential (DP) interaction in the case of non-polar core-shell cylindrical nanowires (NWs). On the basis of long range phenomenological continuum model…
Transmission electron microscopy experiments have recently observed gold metal nanocylinders to thin down in a discrete manner: A kink--a step of order of one atomic layer--nucleates at one end and then moves along the wire, leaving a…
Sensing techniques based on the negatively charged nitrogen-vacancy (NV) centre in diamond have emerged as promising candidates to characterise ultra-thin and 2D materials. An outstanding challenge to this goal is isolating the contribution…
The electron emission properties of a single-crystal nitrogen-doped diamond(001) photocathode inserted in a 10kV DC photoelectron gun are determined using a tunable (235-410nm) ultraviolet laser radiation source for photoemission from both…
We investigate optically detected magnetic resonance signals from an ensemble of nitrogen-vacancy centers in diamond. The signals are measured for different light powers and microwave powers, and the contrast and linewidth of the…
The interplay between charge density wave (CDW) order and superconductivity has attracted much attention. This is the central issue of along standing debate in simple transition metal dichalcogenides without strong electronic correlations,…
Precision optical measurements of the electron-spin precession of nitrogen-vacancy (NV) centers in diamond form the basis of numerous applications. The most sensitivity-demanding applications, such as femtotesla magnetometry, require the…
Despite being usually considered two competing phenomena, charge-density-wave and superconductivity coexist in few systems, the most emblematic one being the transition metal dichalcogenide 2H-NbSe$_2$. This unusual condition is responsible…