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Long optical vibrations and elastic constants of hexagonal boron nitride
Author(s) -
Ramani R.,
Mani K. K.,
Singh R. P.
Publication year - 1978
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220860240
Subject(s) - borazine , force constant , hexagonal boron nitride , molecule , vibration , boron nitride , materials science , valence (chemistry) , hexagonal crystal system , boron , molecular physics , computational chemistry , atomic physics , chemistry , condensed matter physics , crystallography , nanotechnology , physics , quantum mechanics , graphene , organic chemistry
The long optical vibrations of hexagonal BN are studied using the valence force constants of the borazine molecule. It is shown that the in‐plane interactions are adequately described by the transferred molecular force constants. The elastic constant ( c 11 + c 12 ), calculated from the above model compares well with the experimentally deduced value. It is argued that the interplanar forces cannot be satisfactorily described by a simple Lennard‐Jones potential.