Electronic band structure of calcium selenide under pressure |
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Authors: | L Louail K Haddadi D Maouche F Ali Sahraoui A Hachemi |
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Institution: | Faculty of Sciences, Department of Physics, University of Setif, Setif, Algeria |
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Abstract: | Energy band structures under pressure of calcium selenide (CaSe) were calculated using the plane-wave pseudopotential code CASTEP. The results show a progressive transition from a direct to an indirect gap semiconductor at a pressure of about 2 GPa, in the B1 phase. An insulator-conductor change was also observed at 70 GPa, in the B2 phase. Concerning CaSe, these two results could not be evidenced in previous literature. Hence, our work is a first attempt in this direction. |
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Keywords: | 68 18 Jk 73 20 At |
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