%0 Journal Article %T Accurate ab initio determination of ballistic electron emission spectroscopy Application to Au/Ge %+ Consiglio Nazionale delle Ricerche (CNR) %+ Universidad Autónoma de Madrid (UAM) %+ Università degli studi di Genova = University of Genoa (UniGe) %+ California Institute of Technology (CALTECH) %+ Institut de Physique de Rennes (IPR) %+ Spanish National Research Council (CSIC) %A Gerbi, A. %A Gonzalez, C. %A Buzio, R. %A Manca, N. %A Marre, D. %A Bell, L. D. %A Trabada, D. G. %A Di Matteo, Sergio %A de Andres, P. L. %A Flores, F. %Z Maria de Maeztu Programme (MINECO, Spain) [MAT2017-85089-C2-1-R, MAT2017-88258-R] %Z MIUR Progetto Premiale 2012 EOS organic electronics for advanced research instrumentation (Italy) %Z EU [ERC-2013-SYG-610236] %< avec comité de lecture %@ 2469-9950 %J Physical Review B %I American Physical Society %V 98 %N 20 %P 205416 %8 2018 %D 2018 %Z 2018PhRvB..98t5416G %R 10.1103/PhysRevB.98.205416 %Z Physics [physics]Journal articles %X Ab initio nonequilibrium Keldysh formalism based on an N-order renormalization technique is used to compute I (V) ballistic electron emission microscopy characteristics at the Au/Ge(001) interface. Such a formalism quantitatively reproduces precise experimental measurements under ultrahigh vacuum and low- temperature conditions. At T = 0 K, the ballistic current follows the law (V - V-SB)(2.1), V(SB )being the Schottky barrier. At T > 0 K, temperature effects become significant near the onset and must be taken into account to identify an accurate value for V-SB from a best-fit procedure. We find two values for V-SB, 0.67 and 0.75 eV, which we associate with two different atomic registries at the interface. %G English %2 https://univ-rennes.hal.science/hal-01973596/document %2 https://univ-rennes.hal.science/hal-01973596/file/Gerbi_Accurate%20ab%20initio%20determination_Accepted.pdf %L hal-01973596 %U https://univ-rennes.hal.science/hal-01973596 %~ UNIV-RENNES1 %~ CNRS %~ OSUR %~ IPR %~ IPR-MN %~ ZZ-IPR-MN %~ STATS-UR1 %~ UR1-SPM %~ UR1-UFR-SPM %~ UR1-HAL %~ UR1-SDLM %~ TEST-UR-CSS %~ UNIV-RENNES %~ UR1-MMS