ZHANG Liyun, GU Xuewen, SONG Rongli, ZHANG Na. Ab-initio Study on Elastic Properties of Single Wall Carbon Nanotubes[J]. Chinese Journal of Computational Physics, 2011, 28(5): 781-785.
Citation:
ZHANG Liyun, GU Xuewen, SONG Rongli, ZHANG Na. Ab-initio Study on Elastic Properties of Single Wall Carbon Nanotubes[J]. Chinese Journal of Computational Physics, 2011, 28(5): 781-785.
ZHANG Liyun, GU Xuewen, SONG Rongli, ZHANG Na. Ab-initio Study on Elastic Properties of Single Wall Carbon Nanotubes[J]. Chinese Journal of Computational Physics, 2011, 28(5): 781-785.
Citation:
ZHANG Liyun, GU Xuewen, SONG Rongli, ZHANG Na. Ab-initio Study on Elastic Properties of Single Wall Carbon Nanotubes[J]. Chinese Journal of Computational Physics, 2011, 28(5): 781-785.
Ab-initio Study on Elastic Properties of Single Wall Carbon Nanotubes
Hartree-Fock and hybrid DFT and Hartree-Fock methods am used to calculate Young modulus of carbon nanotubos on the basis of ab-initio theory with program Crystal03.Calculated result with Hartree-Fock approximation agrees with other theoretical and experimental ones-Result with hybrid DFT and Hartree-Fock is smaller.Young's modulus of C nanotube depends on geometric structure and electronic structure as well.
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