Work functions of cathode surfaces with adsorbed atoms based on ab initio calculations

Wei Chih Lin, Ming-Chieh Lin

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Work function is one of the most fundamental electronic properties of a metallic surface. The calculation of work function in our work were performed using density functional theory in the local density approximation, with a plane wave basis set and ultra-soft pseudopotentials or the projector-augmented wave method, as implemented in the Vienna ab-initio simulation package. We put another two tungsten layers and 1 or 2 atomic layers of barium on the bulk in sequence. A preliminary ab initio calculation shows that the work function of the tungsten substrate could be lowered obviously due to the adsorbed atoms distributed onto a W(001) surface.

Original languageEnglish
Title of host publication8th IEEE International Vacuum Electronics Conference, IVEC 2007
Pages147-148
Number of pages2
DOIs
StatePublished - 2007 Dec 1
Event8th IEEE International Vacuum Electronics Conference, IVEC 2007 - Kitakyushu, Japan
Duration: 2007 May 152007 May 17

Other

Other8th IEEE International Vacuum Electronics Conference, IVEC 2007
CountryJapan
CityKitakyushu
Period07/05/1507/05/17

Keywords

  • Barium
  • Local density approximation (LDA)
  • Tungsten
  • Vienna ab-initio simulation package (VASP)
  • Work function

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    Lin, W. C., & Lin, M-C. (2007). Work functions of cathode surfaces with adsorbed atoms based on ab initio calculations. In 8th IEEE International Vacuum Electronics Conference, IVEC 2007 (pp. 147-148). [4283259] https://doi.org/10.1109/IVELEC.2007.4283259