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cond-mat.mtrl-sci2016★ 1 cited
Effect of symmetry on the electronic DOS, charge fluctuations and electron-phonon coupling in carbon chains
C. H. Wong, J. Y. Dai, M. B. Guseva +3
A theoretical model is provided to address the parameters influencing the electronic properties of kink-structured carbon chain at 0K. It is studied by the principle of DFT and sol…
cond-mat.mtrl-sci2016
Simulation of chemical bond distributions and phase transformation in carbon chains
C. H. Wong, E. A. Buntov, V. N. Rychkov +2
In the present work we develop a Monte Carlo algorithm of the carbon chains ordered into 2D hexagonal array. The chemical bond of the chained carbon is computed from 1K to 1300K. O…