2024-03-28T21:22:24Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1027842019-03-27T11:19:55Zcom_10261_115com_10261_3col_10261_368
DIGITAL.CSIC
author
Lü, Jing-Tao
author
Christensen, Rasmus B.
author
Foti, Giuseppe
author
Frederiksen, Thomas
author
Gunst, Tue
author
Brandbyge, Mads
funder
Danish National Research Foundation
funder
National Natural Science Foundation of China
funder
Fundamental Research Funds for the Central Universities (China)
funder
Eusko Jaurlaritza
funder
Ministerio de Economía y Competitividad (España)
funder
European Commission
2014-10-01T11:13:16Z
2014-10-01T11:13:16Z
2014
Physical Review B 89(8): 081405(R) (2014)
http://hdl.handle.net/10261/102784
10.1103/PhysRevB.89.081405
http://dx.doi.org/10.13039/501100001732http://dx.doi.org/10.13039/501100001809http://dx.doi.org/10.13039/501100003329http://dx.doi.org/10.13039/501100000780http://dx.doi.org/10.13039/501100003086
We extend the simple and efficient lowest order expansion (LOE) for inelastic electron tunneling spectroscopy (IETS) to include variations in the electronic structure on the scale of the vibration energies. This enables first-principles calculations of IETS line shapes for molecular junctions close to resonances and band edges. We demonstrate how this is relevant for the interpretation of experimental IETS using both a simple model and first-principles simulations. © 2014 American Physical Society.
eng
openAccess
Efficient calculation of inelastic vibration signals in electron transport: Beyond the wide-band approximation
artículo
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URL
https://digital.csic.es/bitstream/10261/102784/1/inelastic%20vibration%20signals.pdf
File
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inelastic vibration signals.pdf
URL
https://digital.csic.es/bitstream/10261/102784/5/inelastic%20vibration%20signals.pdf.txt
File
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22021
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inelastic vibration signals.pdf.txt
URL
https://digital.csic.es/bitstream/10261/102784/5/inelastic%20vibration%20signals.pdf.txt
File
MD5
de494f411ed8774e65e841d6ba00520f
22021
text/plain
inelastic vibration signals.pdf.txt