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Autor:
David L. Azevedo, Ricardo Gargano, Wilson D. S. Alves Miranda, Samir S. Coutinho, M.S. Tavares, E. Moreira
Publikováno v:
Applied Physics A. 127
In this work, we have systematically investigated the structural, electronic, and optical absorption properties of the boron nitride (BN) adamantane isomers (B $$_x$$ N $$_{10-x}$$ , with x= 4, 5 or 6), using both DFT and TD-DFT methods. These isomer