Surface Charge Transfer Doping via Transition Metal Oxides for Efficient p-Type Doping of II–VI Nanostructures

ACS Nano ◽  
2016 ◽  
Vol 10 (11) ◽  
pp. 10283-10293 ◽  
Author(s):  
Feifei Xia ◽  
Zhibin Shao ◽  
Yuanyuan He ◽  
Rongbin Wang ◽  
Xiaofeng Wu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Transition Metal ◽  
Metal Oxides ◽  
Surface Charge ◽  
Transition Metal Oxides ◽  
P Type

P-type doping of organic wide band gap materials by transition metal oxides: A case-study on Molybdenum trioxide

2009 ◽  
Vol 10 (5) ◽  
pp. 932-938 ◽  
Author(s):  
Michael Kröger ◽  
Sami Hamwi ◽  
Jens Meyer ◽  
Thomas Riedl ◽  
Wolfgang Kowalsky ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Oxides ◽  
Band Gap ◽  
Transition Metal Oxides ◽  
Molybdenum Trioxide ◽  
Wide Band ◽  
Wide Band Gap ◽  
P Type

Surface Band Gaps and Superexchange Interaction in Transition Metal Oxides

1995 ◽  
Vol 401 ◽  
Author(s):  
J. J. M. Pothuizen ◽  
O. Cohen ◽  
G. A. Sawatzky
Keyword(s):  
Charge Transfer ◽  
Transition Metal ◽  
Metal Oxides ◽  
Band Gap ◽  
Transition Metal Oxides ◽  
Band Gaps ◽  
Superexchange Interaction ◽  
Surface Band ◽  
Madelung Potential

AbstractIn this paper, we discuss the change in the band gap of charge transfer insulators for different surface terminations. We have calculated the Madelung potential of the unreconstructed (100) surfaces of the rocksalt structured TM-O compounds (TM = Mn, Fe, Co and Ni). We also considered possible step defects on a (100) surface. The presented results are calculated in both the purely ionic case (TM2+O2−) and in the strong ligand p - cation 4s, phybridization (TM1+O1−) case. In both cases the charge transfer gap, Δ, for the surface is reduced compared to the bulk value. As a consequence of this reduction there is a large increase of the surface superexchange interaction, Jsur, and a decrease of the band gap.

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