55 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Georgia State UniversityUS8 papers
- Hamad bin Khalifa UniversityQA6 papers
- Center for InnovationUS5 papers
- Qatar FoundationQA5 papers
- Max-Born-Institute for Nonlinear Optics and Short Pulse SpectroscopyDE3 papers
- Wilfrid Laurier UniversityCA3 papers
- Centre National de la Recherche ScientifiqueFR2 papers
- Institut de Physique et Chimie des Matériaux de StrasbourgFR2 papers
- Max Planck Institute for the Physics of Complex SystemsDE2 papers
- Tinker Air Force BaseUS2 papers
- Université de StrasbourgFR2 papers
- Beijing Computational Science Research CenterCN1 paper
24 papers
First-principles calculations of electrical conductivities of edge-modified graphene nanoribbons: strain effect
Sanjay Prabhakar, Roderick Melnik
We investigate the influence of strain on the electrical properties of graphene nanoribbons that have potential applications in making sensors and other optoelectronic devices. In…
Imaging atomic scattering potential in centroidal diffraction of elastic electrons
R. Aiswarya, Jobin Jose, Nenad Simonović +2
The Fraunhofer diffraction of quantum particles from materials with sharp electron-density edges or symmetric bond structures is ubiquitous. In contrast, diffraction from atoms wit…
Heavy-hole spin relaxation in quantum dots: Isotropic versus anisotropic effects
Dalton Forbes, Sanjay Prabhakar, Ruma De +2
Non-charge based logic in single-hole spin of semiconductor quantum dots (QDs) can be controlled by anisotropic gate potentials providing a notion for making next generation solid-…
Plasmonic Resonant Intercluster Coulombic Decay
Rasheed Shaik, Hari R. Varma, Mohamed El-Amine Madjet +3
Light-induced energy confinement in nanoclusters via plasmon excitations influences applications in nanophotonics, photocatalysis, and the design of controlled slow electron source…
Influence of Random Telegraph Noise on Quantum Bit Gate Operation
Jackson Likens, Sanjay Prabhakar, Ratan Lal +1
We consider the problem of analyzing spin-flip qubit gate operation in presence of Random Telegraph Noise (RTN). Our broad approach is the following. We calculate the spin-flip pro…
Density functional study of the variants of inter-Coulombic decay resonances in the photoionization of Cl@C60
Ruma De, Esam Ali, Steven T. Manson +1
Inter-Coulombic decay (ICD) resonances in the photoionization of Cl@C60 endofullerene molecule are calculated using a perturbative density functional theory (DFT) method. This is t…
Electron vacancy-level dependent hybrid photoionization of F-@C60+ molecule
Esam Ali, Taylor O'Brien, Andrew Dennis +3
Our previous studies [J. Phys. B 53, 125101 (2020); Euro. Phys. J. D 74, 191 (2020)] have predicted that the atom-fullerene hybrid photoionization properties for X = Cl, Br and I e…
Ultrafast transfer and transient entrapment of photoexcited Mg electron in Mg@C60
Mohamed El-Amine Madjet, Esam Ali, Marcelo Carignano +2
Electron relaxation is studied in endofullerene Mg@C60, after an initial localized photoexcitation in Mg, by nonadiabtic molecular dynamics simulations. To ensure reliability, two…
A density functional theory based comparative study of hybrid photoemissions from Cl@C60, Br@C60 and I@C60
Dakota Shields, Ruma De, Esam Ali +3
Photoionization from atom-C60 hybrid levels in halogen endufullerene molecules, Cl@C60, Br@C60 and I@C60, are calculated using a linear response density functional method. Both the…
Photoemission from hybrid states of Cl@ before and after a stabilizing charge transfer
Dakota Shields, Ruma De, Mohamed El-Amine Madjet +2
Photoionization calculations of the endofullerene molecule Cl@ with an open-shell chlorine atom are performed in the time-dependent local density approximation (TDLDA) base…
Resonant charge-transfer in grazing collisions of H with vicinal nanosurfaces on Cu(111), Au(100) and Pd(111) substrates: A comparative study
John Shaw, David Monismith, Yixiao Zhang +2
We compare the electron dynamics at monocrystalline Cu(111), Au(100) and Pd(111) precursor substrates with vicinal nanosteps. The unoccupied bands of a surface superlattice are pop…
Molecular size effects on diffraction resonances in positronium formation from fullerenes
Paul-Antoine Hervieux, Anzumaan R. Chakraborty, Himadri S. Chakraborty
We previously predicted [P.A. Hervieux et al., Phys. Rev. A \textbf{95}, 020701 (2017)] that owing to predominant electron capture by incoming positrons from the molecular shell, C…
Ion survival in grazing collisions of H with vicinal nanosurfaces probes subband electronic structures
John Shaw, David Monismith, Yixao Zhang +1
We study the electron dynamics at a monocrystalline Pd(111) surface with stepped vicinal nanostructures modeled in a simple Kronig-Penney scheme. The unoccupied bands of the surfac…
Effects of exchange-correlation potentials on the density functional description of C_60 versus C_240 photoionization
Jinwoo Choi, EonHo Chang, Dylan M. Anstine +2
We study the photoionization properties of the C_60 versus C_240 molecule in a spherical jellium frame of density functional method. Two different approximations to the exchange-co…
Ubiquitous diffraction resonances in positronium formation from fullerenes
Paul-Antoine Hervieux, Anzumaan R. Chakraborty, Himadri S. Chakraborty
Due to the dominant electron capture by positrons from the molecular wall and the spatial dephasing across the wall-width, a powerful diffraction effect universally underlies the p…
Attosecond delay of xenon photoionization at the giant resonance and Cooper minimum
Maia Magrakvelidze, Mohamed El-Amine Madjet, Himadri S. Chakraborty
A Kohn-Sham time-dependent local-density-functional scheme is utilized to predict attosecond time delays of xenon 4d photoionization that involves the 4d giant dipole resonance and…
First prediction of inter-Coulombic decay of C60 inner vacancies through the continuum of confined atoms
Ruma De, Maia Magrakvelidze, Mohamed E Madjet +2
Considering the photoionization of Ar@C60 and Kr@C60 endofullerenes, the decay of C60 innershell excitations through the outershell continuum of the confined atom via the inter-Cou…
Coherence of Auger and inter-Coulombic decay processes in the photoionization of Ar@C60 versus Kr@C60
Maia Magrakvelidze, Ruma De, Mohammad H. Javani +3
For the asymmetric spherical dimer of an endohedrally confined atom and a host fullerene, an innershell vacancy of either system can decay through the continuum of an outer electro…
Attosecond time delay in valence photoionization and photorecombination of argon: a TDLDA study
Maia Magrakvelidze, Mohamed El-Amine Madjet, Gopal Dixit +2
We determine and analyze the quantum phases and time delays in photoionization and photorecombination of valence 3p and 3s electrons of argon using the Kohn-Sham local density func…
Fullerene photoemission time delay explores molecular cavity in attoseconds
Maia Magrakvelidze, Dylan M. Anstine, Gopal Dixit +2
Photoelectron spectroscopy earlier probed oscillations in C60 valence emissions, producing series of minima whose energy separation depends on the molecular cavity. We show here th…
Photoionization of bonding and antibonding-type atom-fullerene hybrid states in Cd@C vs Zn@C60
Mohammad H. Javani, Ruma De, Mohamed E. Madjet +2
Powerful hybridization of the Cd 4 state with the -angular momentum state of C symmetry is found in the local density approximation (LDA) structure of Cd@C…
Conditions for the Yoneda algebra of a local ring to be generated in low degrees
Justin Hoffmeier, Liana M. Şega
The powers of the maximal ideal of a local Noetherian ring are known to satisfy certain homological properties for large values of . For exam…
Resonant Auger-intercoulombic hybridized decay in the photoionization of endohedral fullerenes
Mohammad H. Javani, Jacob B. Wise, Ruma De +3
Considering the photoionization of Ar@C60, we predict resonant femtosecond decays of both Ar and C60 vacancies through the continua of atom-fullerene hybrid final states. The resul…
Time delay in the recoiling valence-photoemission of Ar endohedrally confined in C
Gopal Dixit, Himadri S. Chakraborty, Mohamed El-Amine Madjet
Effects of confinement and electron correlations on the relative time delay between the 3s and 3p photoemissions of Ar confined endohedrally in C are investigated using the…