167 citations
6 papers
Single-walled carbon nanotube bundle under hydrostatic pressure studied by the first-principles calculations
Xiaoping Yang, Gang Wu, Jinming Dong
The structural, electronic, optical and vibrational properties of the collapsed (10,10) single-walled carbon nanotube bundle under hydrostatic pressure have been studied by the fir…
Ferromagnetism of an all-carbon composite composed of a carbon nanowire nside a single-walled carbon nanotube
Xiaoping Yang, Jinming Dong
Using the first-principles spin density functional approach, we have studied magnetism of a new type of all-carbon nanomaterials, i.e., the carbon nanowires inserted into the singl…
Electronic and Transport Properties of Radially Deformed Double-walled Carbon Nanotube Intramolecular Junction
Xiaoping Yang, Jinming Dong
The electronic and transport property of a radially deformed double-walled carbon nanotube (DWNT) intramolecular junction (IMJ) has been studied by the tight-binding (TB) model com…
Geometrical and electronic structures of the (5, 3) single-walled gold nanotube from first-principles calculations
Xiaoping Yang, Jinming Dong
The geometrical and electronic structures of the 4 Å diameter perfect and deformed (5, 3) single-walled gold nanotube (SWGT) have been studied based upon the density-functional the…
Chiral Symmetry of Double-Walled Carbon Nanotubes detected in First-principles Optical Absorption Spectra
Xiaoping Yang, Jiangwei Chen, Hui Jiang +1
The linear polarizability absorption spectra of the double-walled carbon nanotubes (DWNTs) have been calculated by using the tight-binding (TB) model and sum-over-state (SOS) metho…
Electronic Structure and Optical Properties of the Co-doped Anatase TiO Studied from First Principles
Hongming Weng, Xiaoping Yang, Jinming Dong +3
The Co-doped anatase TiO, a recently discovered room-temperature ferromagnetic insulator, has been studied by the first-principles calculations in the pseudo-potential plane-…