Searched for: author%3A%22Ratner%2C+M.A.%22
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Seldenthuis, J.S. (author), Van der Zant, H.S.J. (author), Ratner, M.A. (author), Thijssen, J.M. (author)
We have combined ab initio quantum chemistry calculations with a rate-equation formalism to analyze electroluminescence spectra in single-molecule junctions, measured recently by several groups in scanning tunneling microscope setups. In our method, the entire vibrational spectrum is taken into account. Our method leads to good quantitative...
journal article 2010
Sim, E. (author), Beckers, J. (author), De Leeuw, S. (author), Thorpe, M. (author), Ratner, M.A. (author)
We introduce a simple semiempirical anharmonic Kirkwood–Keating potential to model AxB1?xC-type semiconductors. The potential consists of the Morse strain energy and Coulomb interaction terms. The optical constants of pure components, AB and BC, were employed to fit the potential parameters such as bond-stretching and -bending force constants,...
journal article 2005