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Ab initio calculation of ideal strength and phonon instability of graphene in tension
strength phonon instability graphene
2012/8/8
Graphene-based sp2-carbon nanostructures such as carbon nanotubes and nanofibers can fail
near their ideal strengths due to their exceedingly small dimensions. We have calculated the
phonon spectra ...
ab initio Study of Electronic Structure and Magnetic
Properties of a Novel Two-Dimensional Copper(II)-Radical Complex
[Cu(NTTmPy)2(N3)2]n
organic magnet electronic structure
2007/8/15
2004Vol.41No.1pp.119-122DOI:
ab initio Study of Electronic Structure and Magnetic
Properties of a Novel Two-Dimensional Copper(II)-Radical Complex
[Cu(NTTmPy)2(N3)2]n
YAO Kai-Lun,...
Ab Initio Calculation of the (100) and (110) Surface Phonon Dispersion of GaAs and GaN
the (100) and (110) Surface Phonon GaAs GaN
2010/10/21
In this work, we have calculated ab initio the phonon dynamics of the Ga-rich GaAs (100) (1 £ 1), GaAs (100) (2 £ 1), GaN (100) (1 £ 1), GaAs (110) and GaN (110) surfaces. Our result...