Outputs (7)

First-principles calculations of 2x2 reconstructions of GaN(0001) surfaces involving N, Al, Ga, In, and as atoms (2005)
Journal Article
Timon, V., Brand, S., Clark, S., Gibson, M., & Abram, R. (2005). First-principles calculations of 2x2 reconstructions of GaN(0001) surfaces involving N, Al, Ga, In, and as atoms. Physical review B, 72(3), https://doi.org/10.1103/physrevb.72.035327

The ab initio studies presented here employed a pseudopotential-plane-wave method in order to obtain the minimum-energy configurations of various 22 GaN0001 surfaces involving N, Al, Ga, In, and As atoms. Comparison of the various possible reconstruc... Read More about First-principles calculations of 2x2 reconstructions of GaN(0001) surfaces involving N, Al, Ga, In, and as atoms.

Disorder induced modification of reflection and transmission spectra of a two-dimensional photonic crystal with an incomplete band-gap (2005)
Journal Article
Beggs, D., Kaliteevski, M., Brand, S., Abram, R., Cassagne, D., & Albert, J. (2005). Disorder induced modification of reflection and transmission spectra of a two-dimensional photonic crystal with an incomplete band-gap. Journal of Physics: Condensed Matter, 17(26), 4049-4055. https://doi.org/10.1088/0953-8984/17/26/005

Transmission and reflection of light in disordered two-dimensional photonic crystals with an incomplete photonic band-gap have been modelled for various levels of disorder. It is found that ballistic and scattered light display different behaviours a... Read More about Disorder induced modification of reflection and transmission spectra of a two-dimensional photonic crystal with an incomplete band-gap.

Ab initio dynamics study of poly-para-phenylene vinylene (2005)
Journal Article
Zheng, G., Clark, S., Tulip, P., Brand, S., & Abram, R. (2005). Ab initio dynamics study of poly-para-phenylene vinylene. The Journal of Chemical Physics, 123(2), Article 024904. https://doi.org/10.1063/1.1955516

We present an ab initio dynamics investigation within a density-functional perturbation theory framework of the properties of the conjugated polymer poly-para-phenylene vinylene (PPV) in both the isolated chain and crystalline states. The calculated... Read More about Ab initio dynamics study of poly-para-phenylene vinylene.

Theoretical adlayer surface morphology of wurtzite 2 × 2 reconstructions of the GaN (0001) surface (2005)
Journal Article
Timon, V., Brand, S., Clark, S., & Abram, R. (2005). Theoretical adlayer surface morphology of wurtzite 2 × 2 reconstructions of the GaN (0001) surface. Journal of Physics: Condensed Matter, 17(1), 17-26. https://doi.org/10.1088/0953-8984/17/1/002

In the first-principles calculations presented here we employ a density functional formalism using a pseudopotential plane-wave basis set in order to obtain the minimum energy configurations of various GaN(0001) 2 × 2 surfaces involving N atoms. The... Read More about Theoretical adlayer surface morphology of wurtzite 2 × 2 reconstructions of the GaN (0001) surface.

Screened Exchange Calculations of Semiconductor Band Structures (2005)
Presentation / Conference Contribution
Gibson, M. C., Clark, S. J., Brand, S., & Abram, R. A. (2004, July). Screened Exchange Calculations of Semiconductor Band Structures. Presented at 27th International Conference on the Physics of Semiconductors : ICPS-27., Flagstaff, Arizona

We have calculated the band structures of several group IV and III-V semiconductors from first principles. The technique we have employed is the screened exchange method, which is an extension of the commonly used Kohn-Sham density functional theory... Read More about Screened Exchange Calculations of Semiconductor Band Structures.

The interaction of quantum well excitons with evanescent EM waves and the spectroscopy of waveguide polaritons (2005)
Presentation / Conference Contribution
Beggs, D., Kaliteevski, M., Brand, S., Abram, R., & Kavokin, A. (2004, July). The interaction of quantum well excitons with evanescent EM waves and the spectroscopy of waveguide polaritons. Presented at 27th International Conference on the Physics of Semiconductors : ICPS-27., Flagstaff, Arizona

A transfer matrix method has been used to calculate the dispersion relations of planar dielectric waveguides (WGs) containing quantum well (QW) excitons. It is found that WG polaritons are formed, whose dispersion displays the classic anti-crossing b... Read More about The interaction of quantum well excitons with evanescent EM waves and the spectroscopy of waveguide polaritons.

First-principles calculations of 2×2 reconstructions of GaN surfaces (2005)
Presentation / Conference Contribution
Salinero, V., Gibson, M., Brand, S., Clark, S., & Abram, R. (2004, July). First-principles calculations of 2×2 reconstructions of GaN surfaces. Presented at 27th International Conference on the Physics of Semiconductors : ICPS-27., Flagstaff, Arizona

e GaN and other group III nitrides have great importance in a wide range of technological applications. Difficulty in growing good quality epitaxial GaN currently prevents the full technological potential of this material. The ab initio studies prese... Read More about First-principles calculations of 2×2 reconstructions of GaN surfaces.