Three Band Theory for Three Types Self-Trapped Excitons in Alkali Halides
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概要
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Self-trapped excitons (STB) in alkali halides are theoretically studied by the following threeband znodel. A hole raaoves about 7t-orbitals centered at anions. While an electron moves overvacancy orbitals centered at regular anion sites as xvell as .s-orbitals of cations. Thus, the electron,initially in a .s-orbital, can fall into the vacancy orbital, when an anion is removed from its latticesite. Only the iodine series is stttdied, and we have fotrnd three types of minima, A, B and Cin the adiabatic potential energy surface of' the STE. The type A is a one-center STE with evenparity, while B is a deforrrred Vl< -f e, and C is a charge-separated STE. The type A is alwaysthe highest state, independently of the alkali attorn. While, relative stability between the B andthe C depends on the size of alkali ion. When it is srnall the B is the lowest, and the C is absent.As the size increases, the C appears as well as the B and beconaes the lowest.
- 社団法人日本物理学会の論文
- 1996-06-15
著者
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Nasu Kei-ichiro
Photon Factory National Laboratory For High Energy Physics Graduate University For Advanced Studies
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Nagasaka S
Department Of Physics Faculty Of Science Yamagata University
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Nagasaka Shin-ichiro
Department Of Physics Faculty Of Science Yamagata University
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