相关论文: Electronic Aromaticity Index for Large Rings
An accurate control of the optical properties of single crystal diamond during microfabrication processes such as ion implantation plays a crucial role in the engineering of integrated photonic devices. In this work we present a systematic…
We present a first-principles machine-learning computational framework to investigate anharmonic effects in polarization-orientation (PO) Raman spectra of molecular crystals, focusing on anthracene and naphthalene. By combining machine…
Modulation format identification (MFI) is crucial in next-generation optical networks such as cognitive optical networks. An integrated-clustering-algorithm-based MFI scheme in a coherent optical communication system is proposed herein.…
Ratios of polycyclic aromatic hydrocarbon (PAH) vibrational bands are a promising tool for measuring the properties of the PAH population and their effect on star formation. The photometric bands of the MIRI and NIRCam instruments on JWST…
We calculate the oscillations of the DC conductance across a mesoscopic ring, simultaneously tuned by applied magnetic and electric fields orthogonal to the ring. The oscillations depend on the Aharonov-Bohm flux and of the spin-orbit…
Vibrational levels of the electronic ground states in dye molecules have not been previously explored at high resolution in solid matrices. We present new spectroscopic measurements on single polycyclic aromatic molecules of…
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…
A systematic method to account for electron correlation in periodic systems which can predict quantitatively correct band structures of non-conducting solids from first principles is presented. Using localized Hartree-Fock orbitals (both…
Many methods for computing electronic correlation effects at finite temperature are related to many-body perturbation theory in the grand-canonical ensemble. In most applications, however, the average number of electrons is known rather…
Based on density functional calculations, the relationship between magnetism or superconductivity and electronic states around Fermi level were derived, and the location of the Fermi level in nonmagnetic "form" of Laves-phase compounds is…
Recent achievements in quantum control have resulted in advanced techniques for designing controllers for applications in quantum communication, computing, and sensing. However, the susceptibility of such systems to noise and uncertainties…
Electronic spin defects in the environment of an optically-active spin can be used to increase the size and hence the performance of solid-state quantum registers, especially for applications in quantum metrology and quantum communication.…
We present spectroscopic observations of a sample of 72 emission-line objects, including mainly HII regions, in the spiral galaxy M 33. Spectra were obtained with the multi-object, wide field spectrograph AF2/WYFFOS at the 4.2m WHT…
The great success of point defects and dopants in semiconductors for quantum information processing has invigorated a search for molecules with analogous properties. Flexibility and tunability of desired properties in a large chemical space…
Resistivity, dc magnetization, and heat capacity measurements are reported for superconducting NaBi. Tc, the electronic contribution to the specific heat {\gamma}, the {\Delta}Cp/{\gamma}Tc ratio, and the Debye temperature are found to be…
In this work the behavior of optical micro-ring resonators, especially when functioning as refractive index sensors, is studied in detail. Two configurations are considered, namely a linear waveguide coupled to a circular one and two linear…
We extend the prediction of vibrational spectra to large sized polycyclic aromatic hydrocarbon (PAH) molecules comprising up to \sim 1500 carbon atoms by evaluating the efficiency of several computational chemistry methodologies. We employ…
Benchmarking simulation codes for electron transport and scattering in matter is a crucial step for estimating uncertainties in many applications. However, experimental data for electron energies of a few MeV is scarce to make such…
We consider a nanosystem connected to measurement probes via leads. When a magnetic flux is varied through a ring attached to one lead at a distance Lc from the nanosystem, the effective nanosystem transmission |ts|^2 exhibits Aharonov-Bohm…
We introduce a calorimetric approach to probe persistent currents in normal metal rings. The heat capacity of a large ensemble of silver rings is measured by nanocalorimetry under a varying magnetic field at different temperatures (60 mK,…