Abstract
Divalent 3d transition metal impurities (V, Cr, Mn, Fe, Co, Ni, and Cu) in KMgF3 and BaLiF3 have been investigated by local-spin-density approximation (LSDA)-based ab initio calculations using an ultrasoft pseudopotential method and a planewave basis set. The results of numerical calculations show that the 3d transition metal impurities exhibit mid-gap levels and that the electronic transition from impurity levels to the conduction band results from the absorption of vacuum ultraviolet (VUV) light with energy lower than band-gap width. Therefore, 3d transition metal contaminations in KMgF3 and BaLiF3 should be avoided for VUV lithographic lens applications.
| Original language | English |
|---|---|
| Pages (from-to) | 5082-5085 |
| Number of pages | 4 |
| Journal | Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers |
| Volume | 42 |
| Issue number | 8 |
| Publication status | Published - 2003 Aug 1 |
Keywords
- Ab initio calculation
- Fluoroperovskite
- LSDA
- Lens
- Lithography
- Perovskite-like fluoride
- Vacuum-ultraviolet-transparent
ASJC Scopus subject areas
- Engineering(all)
- Physics and Astronomy(all)
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Nishimatsu, T., Terakubo, N., Mizuseki, H., Kawazoe, Y., Pawlak, D. A., Shimamura, K., Ichinose, N., & Fukuda, T. (2003). Ab Initio Study of Divalent 3d Transition Metal Impurities in KMgF 3 and BaLiF3. Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, 42(8), 5082-5085.