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In this work, we have built upon our previous discovery of strontium vanadate (SrVO3) as a new, low work function electron emission material. Using Density Functional Theory methods, we have alloyed pure SrVO3 with 46 different elements and predicted work function changes from pure SrVO3 using the oxygen 2p energy states as a bulk electronic structure descriptor. We have shown that bulk doping of...
Strontium vanadate, SrVO3, is a transition metal perovskite oxide with a low predicted work function of 1.79 eV using Density Functional Theory. Alloying SrVO3 with Ba resulted in Ba segregation to the emitting surface, producing an ultra-low work function of only 1.07 eV. This Ba-enriched emitting surface is predicted to be very long-lived compared to Ba-impregnated W and scandate cathodes.
Perovskite oxides are promising materials for a new class of electron emitting materials because they possess intrinsically low work functions without the need for an additional surface dipole coating. Density Functional Theory (DFT) was used to examine a series of LaBO3 (B=transition metal) perovskites, and it was found that LaVO3 exhibited the lowest work function of 1.52 eV.
Density functional theory was used to calculate the surface electron emission barriers for the stable (011) and (111) surfaces of bixbyite Sc2O3 in the presence of adsorbed Ba and Ba-O. A low surface barrier of 1.21 eV for a defected BaO monolayer on Sc2O3 (011) was found to be thermodynamically stable. This result provides a straightforward explanation of low effective work function measurements...
A defect model for Sc2O3 was developed using quantum mechanical modeling and evaluated under cathode operating conditions to determine the electronic properties of Sc2O3 used in cathode experiments. We find that Sc2O3 can conduct well enough with a sub-ppm impurity concentration such that the limiting step of emission is not conduction through bulk Sc2O3.
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