TY - JOUR
T1 - Crystal electron binding energy and surface work function control of tin dioxide
AU - Butler, Keith T.
AU - Buckeridge, John
AU - Catlow, C. Richard A.
AU - Walsh, Aron
N1 - Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.
PY - 2014/3/28
Y1 - 2014/3/28
N2 - The work function of a material is commonly used as an intrinsic reference for band alignment; however, it is notoriously susceptible to extrinsic conditions. Following the classification of Bardeen we calculate values for the bulk binding energy of electrons in rutile-structured SnO2 and the effect of the surface on the work function, thus highlighting the role of the surface in determining the energy levels of a material. Furthermore we demonstrate how, through the use of ultrathin heteroepitaxial oxide layers (SiO2, TiO2, PbO2) at the surface, the work function can be tuned to achieve energy levels commensurate with important technological materials. This approach can be extended from transparent conducting oxides to other semiconducting materials.
AB - The work function of a material is commonly used as an intrinsic reference for band alignment; however, it is notoriously susceptible to extrinsic conditions. Following the classification of Bardeen we calculate values for the bulk binding energy of electrons in rutile-structured SnO2 and the effect of the surface on the work function, thus highlighting the role of the surface in determining the energy levels of a material. Furthermore we demonstrate how, through the use of ultrathin heteroepitaxial oxide layers (SiO2, TiO2, PbO2) at the surface, the work function can be tuned to achieve energy levels commensurate with important technological materials. This approach can be extended from transparent conducting oxides to other semiconducting materials.
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U2 - 10.1103/PhysRevB.89.115320
DO - 10.1103/PhysRevB.89.115320
M3 - Article
AN - SCOPUS:84898764513
VL - 89
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 11
M1 - 115320
ER -