What is it about?
The structural, electronic, optical, elastic and phonon properties of perovskite BiAlO3 using first principle method. First year during my stay in PKU, I hardly getting anything done. Starting my second year, I was suggested to do something on perovskite. The work was done in several weeks and then presented in seminar Feb 2016. Then briefly wrote up the work in the last few weeks and finished my life as a postdoc in Beijing...
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Why is it important?
Able to perform the theoretical calculation, in close comparing to experimental data.
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This page is a summary of: The first principle study of electronic and optical properties in rhombohedral BiAlO 3 , Modern Physics Letters B, January 2016, World Scientific Pub Co Pte Lt,
DOI: 10.1142/s0217984916500068.
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