Structural phase transformation of GaN under high-pressure: an exact exchange study |
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Authors: | AI Al-Sharif |
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Institution: | Department of Physics, Faculty of Science, Yarmouk University, Irbid 21163, Jordan |
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Abstract: | The phase transformation of GaN under high pressure is theoretically studied in the KS-DFT framework using the EXX method. Both KLI and LDA pseudopotentials were tried. The LDA-PP result for the transition pressure is 41.7 GPa while that of the KLI-PP is 41.5 GPa. Both results are in a very good agreement with the latest experimental value of 42 GPa. The effect of the nonlinear core correction is found to be small but not negligible. |
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Keywords: | 64 20 +t 64 70 Kb 71 20 Nr |
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