In this paper, optical and electronic properties of diamond shaped graphene quantum dots (DQDs) have been studied by employing large-scale electron-correlated calculations. The computations have been performed using the π-electron Pariser-Parr-Pople model Hamiltonian, which incorporates long-range Coulomb interactions. The influence of electroncorrelation effects on the ground and excited states has been included by means of the configuration-interaction approach, used at various levels. Our calculations have revealed that the absorption spectra are red-shifted with the increasing sizes of quantum dots. It has been observed that the first peak of the linear optical absorption, which represents the optical gap, is not the most intense peak. This result is in excellent agreement with the experimental data, but in stark contrast to the predictions of the tight-binding model, according to which the first peak is the most intense peak, pointing to the importance of electron-correlation effects. 1 arXiv:1501.06041v3 [cond-mat.mes-hall]

At BARC, development of a Low Energy High Intensity Proton Accelerator (LEHIPA), as front-end injector of the 1 GeV accelerator for the ADS programme, has been initiated. The major components of LEHIPA (20 MeV, 30 mA) are a 50 keV ECR ion source, a 3 MeV Radio Frequency Quadrupole (RFQ) and a 20 MeV drift tube linac (DTL). The Low Energy Beam Transport (LEBT) and Medium Energy Beam Transport (MEBT) lines match the beam from the ion source to RFQ and from RFQ to DTL respectively. Design of these systems has been completed and fabrication of their prototypes has started. Physics studies of the 20-1000 MeV part of the Linac are also in progress. In this paper, the present status of this project is presented.

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Experimental challenges in identifying various types of magnetic ordering in graphene quantum dots (QDs) pose a major hurdle in the application of these nanostructures for spintronic devices. Based upon phase diagrams obtained by employing the π-electron PariserParr-Pople (PPP) model Hamiltonian, we demonstrate that the magnetic states undergo phase transition under the influence of an external electric field. Our calculations of the electro-absorption spectra of these QDs indicate that the spectrum in question carries strong signatures of their magnetic state (FM vs AFM), thus suggesting the possibility of an all-optical characterization of their magnetic nature. Further, the gaps for the up and the down spins are the same in the absence of an external electric field, both for the antiferromagnetic (AFM), and the ferromagnetic (FM) states of QDs. But, once the QDs are exposed to a suitably directed external electric field, gaps for different spins split, and, exhibit distinct variations with respect to the strength of the field. The nature of variation exhibited by the energy gaps corresponding to the up and down spins is different for the AFM and FM configurations of QDs. This selective manipulation of the spin-polarized gap splitting by an electric field in finite graphene nanostructures can open up new frontiers in the design of graphene-based spintronic devices.

The random Zn 1-x Be x Se zincblende alloy is known to exhibit a peculiar three-mode [1× (Zn-Se),2× (Be-Se)] vibration pattern near the Brillouin zone (BZ) center, of the so-called percolation type, apparent in its Raman spectra. This is due to an unusually large contrast between the physical properties (length, ionicity) of the constituting bonds. In the present work, the inelastic neutron scattering is applied to study the dispersion of modes away from the BZ center, with special attention to the q dependence of the BeSe-like transverse optic doublet. The discussion is supported by calculations of lattice dynamics done both ab initio (using the SIESTA code) and within the shell model. The BeSe-like doublet is found to survive nearly unchanged throughout the BZ up to the zone edge, indicating that its origin is at the ultimate bond scale. The microscopic mechanism of splitting is clarified by ab initio calculations. Namely, the local lattice relaxation needed to accommodate the contrast in physical properties of the Zn-Se and Be-Se bonds splits the stretching and bending modes of connected, i.e., percolativelike, (Be-Se) bonds.