Zobrazeno 1 - 10
of 701
pro vyhledávání: '"Mowbray, D. J."'
Publikováno v:
Physical Review A 91, 033410 (2015)
We show that additional features can emerge in the linear absorption spectra of homonuclear diatomic molecules when the ions are described quantum mechanically. In particular, the widths and energies of the peaks in the optical spectra change with th
Externí odkaz:
http://arxiv.org/abs/1502.00291
Autor:
Despoja, V., Mowbray, D. J.
Publikováno v:
Physical Review B 89, 195433 (2014)
Using our recently proposed Bethe-Salpeter $G_0W_0$ formulation, we explore the optical absorption spectra of fullerene (C$_{60}$) near coinage metal surfaces (Cu, Ag, and Au). We pay special attention to how the surface plasmon $\omega_S$ influences
Externí odkaz:
http://arxiv.org/abs/1405.2860
Autor:
Kundys, D. O., Wells, J. -P. R., Andreev, A. D., Hashemizadeh, S. A., Wang, T., Parbrook, P. J., Fox, A. M., Mowbray, D. J., Skolnick, M. S.
Publikováno v:
Physical Review B 73, 165309 ?2006?
We report on two pulse, degenerate four wave mixing (DFWM) measurements on shallow InGaN/GaN multi-quantum wells (MQWs) grown on sapphire substrates. These reveal pulse length limited signal decays. We have found a 10:1 resonant enhancement of the DF
Externí odkaz:
http://arxiv.org/abs/1401.3156
Publikováno v:
Physical Review B 88, 235437 (2013)
We present an alternative methodology for calculating the quasi-particle energy, energy loss, and optical spectra of a molecule deposited on graphene or a metallic substrate. To test the accuracy of the method it is first applied to the isolated benz
Externí odkaz:
http://arxiv.org/abs/1309.1359
Autor:
Cabellos, J. L., Mowbray, D. J., Goiri, E., El-Sayed, A., Floreano, L., de Oteyza, D. G., Rogero, C., Ortega, J. E., Rubio, A.
Publikováno v:
J. Phys. Chem. C 116, 17991-18001 (2012)
We develop an effective potential approach for assessing the flow of charge within a two-dimensional donor-acceptor/metal network based on core-level shifts. To do so, we perform both density functional theory (DFT) calculations and x-ray photoemissi
Externí odkaz:
http://arxiv.org/abs/1308.5277
Publikováno v:
Physical Review B 84, 104514 (2011)
Surface state localization and hybridization on B, Mg, and Li terminated MgB_2(0001) surfaces are studied within density functional theory (DFT). For the B terminated surface we find a low energy B {\sigma}_1 surface state, a spz surface state, and B
Externí odkaz:
http://arxiv.org/abs/1105.2593
A thorough understanding of the electronic structure is a necessary first step for the design of nanoelectronics, chemical/bio-sensors, electrocatalysts, and nanoplasmonics using graphene. As such, theoretical spectroscopic techniques to describe bot
Externí odkaz:
http://arxiv.org/abs/1105.0264
Publikováno v:
New Journal of Physics 12, (2010), 043021
We investigate the angular and spatial distributions of protons of the energy of 0.223 MeV after channeling through an (11,~9) single-wall carbon nanotube of the length of 0.2 $\mu$m. The proton incident angle is varied between 0 and 10 mrad, being c
Externí odkaz:
http://arxiv.org/abs/1008.2629
Publikováno v:
Physical Review B 2010, 82 245429
We present a quantization of the hydrodynamic model to describe the excitation of plasmons in a single-walled carbon nanotube by a fast point charge moving near its surface at an arbitrary angle of incidence. Using a two-dimensional electron gas repr
Externí odkaz:
http://arxiv.org/abs/1006.1800
Publikováno v:
Physica Status Solidi B 2011, 247, 2678-2682
We demonstrate a "bottom up" approach to the computational design of a multifunctional chemical sensor. General techniques are employed for describing the adsorption coverage and resistance properties of the sensor based on density functional theory
Externí odkaz:
http://arxiv.org/abs/1004.5334