Imperial College London
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ProfessorAndrewHorsfield

Faculty of Engineering, Department of Materials

Professor of Theory and Simulation of Materials
 
 
 
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Contact

 

+44 (0)20 7594 6753a.horsfield

 
 
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Location

 

Bessemer B331Royal School of MinesSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Todorov:2019:10.1103/PhysRevB.99.045415,
author = {Todorov, TN and Horsfield, AP},
doi = {10.1103/PhysRevB.99.045415},
journal = {Physical Review B},
title = {Multiple-probe electronic open boundaries with bad contacts},
url = {http://dx.doi.org/10.1103/PhysRevB.99.045415},
volume = {99},
year = {2019}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - We revisit the weak-coupling limit of the hairy probes method for electronic open boundaries. In this limit, the electronic density matrix is approximately stationary. We exploit this fact to combine hairy probes with electron-phonon scattering at the level of low-order transitions between eigenstates of the electronic Hamiltonian. This provides a method that is computationally very efficient, and whose results can be interpreted quite straightforwardly. The resultant time-dependent hybrid method is illustrated through the numerical calibration of a thermoelectric nanoscale thermometer.
AU  - Todorov,TN
AU  - Horsfield,AP
DO  - 10.1103/PhysRevB.99.045415
PY  - 2019///
SN  - 2469-9950
TI  - Multiple-probe electronic open boundaries with bad contacts
T2  - Physical Review B
UR  - http://dx.doi.org/10.1103/PhysRevB.99.045415
UR  - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000455825600006&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR  - http://hdl.handle.net/10044/1/67224
VL  - 99
ER  -
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