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Electronic band structure / Density functional theory / Semiconductor / Ab initio quantum chemistry methods / Band gap / ACES / Quantum chemistry / Chemistry / Theoretical chemistry / Computational chemistry


Ab initio modeling of optoelectronic properties of semiconductors for photovoltaics J. Vidal1,2,4, L.M. Huang1, C. Domain1, P. Olsson1, J.F. Guillemoles*1, M. Gatti2,4, S. Botti2,3,4 and L. Reining2,4 1
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Document Date: 2010-05-11 12:45:48

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City

Chatou / Palaiseau / New York / /

Country

France / /

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Facility

European Theoretical Spectroscopy Facility / /

IndustryTerm

important structural and chemical properties / energy calculations / formation energy / electronic energy / transition metal elements / antisite formation energy / calculated gap energy / photovoltaic applications / chemical potentials / energy / /

Organization

Institute for Research and Development of Photovoltaic Energy / European Union / /

Person

Sei T Ini / Sei O Sei / Claude Bernard Lyon / /

Position

representative / /

ProvinceOrState

New York / /

Technology

Spectroscopy / 232 processors / 16 processors / semiconductors / hybridization / /

URL

www.abinit.org / /

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