Publication
Band offsets at the Si/SiO2 interface from many-body perturbation theory
Résumé
We use many-body perturbation theory, the state-of-the-art method for band-gap calculations, to compute the band offsets at the Si/SiO2 interface. We examine the adequacy of the usual approximations in this context. We show that (i) the separate treatment of band structure and potential lineup contributions, the latter being evaluated within density-functional theory, is justified, (ii) most plasmon-pole models lead to inaccuracies in the absolute quasiparticle corrections, (iii) vertex corrections can be neglected, and (iv) eigenenergy self-consistency is adequate. Our theoretical offsets agree with the experimental ones within 0.3 eV.
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Concepts associés (33)
Théorie des bandes
redresse=1.5|vignette|Représentation schématique des bandes d'énergie d'un solide. représente le niveau de Fermi. thumb|upright=1.5|Animation sur le point de vue quantique sur les métaux et isolants liée à la théorie des bandes En physique de l'état solide, la théorie des bandes est une modélisation des valeurs d'énergie que peuvent prendre les électrons d'un solide à l'intérieur de celui-ci. De façon générale, ces électrons n'ont la possibilité de prendre que des valeurs d'énergie comprises dans certains intervalles, lesquels sont séparés par des bandes d'énergie interdites (ou bandes interdites).
Band diagram
In solid-state physics of semiconductors, a band diagram is a diagram plotting various key electron energy levels (Fermi level and nearby energy band edges) as a function of some spatial dimension, which is often denoted x. These diagrams help to explain the operation of many kinds of semiconductor devices and to visualize how bands change with position (band bending). The bands may be coloured to distinguish level filling. A band diagram should not be confused with a band structure plot.
Anderson's rule
Anderson's rule is used for the construction of energy band diagrams of the heterojunction between two semiconductor materials. Anderson's rule states that when constructing an energy band diagram, the vacuum levels of the two semiconductors on either side of the heterojunction should be aligned (at the same energy). It is also referred to as the electron affinity rule, and is closely related to the Schottky–Mott rule for metal–semiconductor junctions. Anderson's rule was first described by R. L. Anderson in 1960.
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