Related papers: Electron Attachment Induced Shape Resonances in AT…
In this work, we have studied the effect of base-pairing on the shape resonances of guanine and cytosine nucleobases. Among the seven {\pi}* resonances we identified in the guanine-cytosine (GC) anion radical, three were centered on…
We investigate microhydration effects on the three low-lying {\pi}* shape resonances of thymine using the Resonance via Pad\'e approach in combination with the DLPNO-EA-EOM-CCSD method. For isolated thymine, the calculated resonance…
We systematically examine all the tight-binding parameters pertinent to charge transfer along DNA. The $\pi$ molecular structure of the four DNA bases (adenine, thymine, cytosine, and guanine) is investigated by using the linear combination…
We have investigated the impact of microsolvation on the shape resonance states of nucleobases, taking cytosine as a case study. To characterize the resonance position and decay width of the metastable states, we employed the newly…
The naturally weak spin-orbit coupling in Graphene can be largely enhanced by adatom deposition (e.g. Weeks et al. Phys. Rev. X 1, 021001 (2011)). However, the dynamics of the adatoms also induces a coupling between phonons and the electron…
Modern electronic-structure theory defines dispersion interactions as connected intramonomer excitations. Using this definition, dispersion contributions have been shown in literature to be large relative to other contributions at van der…
Calculations are presented which use the molecular R-matrix with pseudo-states (MRMPS) method to treat electron impact electron detachment and electronic excitation of the carbon dimer anion. Resonances are found above the ionisation…
We present a theoretical study of resonance characteristics in graphene from adatoms with $s$ or $p_z$ character binding in top, bridge, and hollow positions. The adatoms are described by two tight-binding parameters: onsite energy and…
We investigate anharmonically coupled high- and low-frequency excitations in a planar lattice of adsorbed molecules interacting with phonons of a crystal. Dephasing of high-frequency local vibrations by low-frequency resonance modes is…
Magnetic proximity effects in Co/hBN/graphene heterostructures are systematically analyzed via first-principles calculations, demonstrating a pronounced localized spatial variation of the induced spin polarization of graphene's Dirac…
We demonstrate spatially-resolved measurements of spontaneous and stimulated electron-photon interactions in nanoscale optical near fields using electron energy-loss spectroscopy (EELS), cathodoluminescence spectroscopy (CL), and…
We experimentally examine the topological nature of a strongly coupled spin-photon system induced by damping. The presence of both spin and photonic losses results in a non-Hermitian system with a variety of exotic phenomena dictated by the…
We combine ab-initio calculations based on many-body perturbation theory and the cumulant expansion with angle-resolved photoemission spectroscopy (ARPES) to quantify the electron-plasmon interaction in the highly-doped semiconducting…
Using the conventional $T$-matrix approach, we discuss gapped phases in 1D, 2D, and 3D spin systems (both with and without a long range magnetic order) with bond disorder and with weakly interacting bosonic elementary excitations. This work…
By applying tight binding model of adatoms in graphene, we study theoretically the localized aspects of the interaction between transition metal atoms and graphene. Considering the electron-electron interaction by adding a Hubbard term in…
Phonon localization is a phenomenon that influences numerous material properties in condensed matter physics. Anderson localization brings rise to localized atomic-scale phonon interferences in disordered lattices with an influence limited…
The results of spin-polarized density functional theory calculations find that band gap engineering can be achieved by site-specific interactions in a composite consisting of polyaniline and TiO2 nanoparticles. Interactions in the composite…
The collective response of a system is profoundly shaped by the interaction dynamics between its constituent elements. In physics, tailoring these interactions can enable the observation of unusual phenomena that are otherwise inaccessible…
An investigation on the properties of electronic states of a tight-binding Hamiltonian on the Apollonian network is presented. This structure, which is defined based on the Apollonian packing problem, has been explored both as a complex…
Flat-band topologies and localizations in non-interacting systems are extensively studied in different quantum and classical-wave systems. Recently, the exploration on the novel physics of flat-band localizations and topologies in…