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19992016
most citedElectronic Structure and Optical Properties of the Co-doped Anatase TiO Studied from First Principles

167 citations · 1.3k across the 34 of their papers we have counts for

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Showing 2007 · cond-mat.mtrl-sciShow all

8 papers · 2 filters

cond-mat.mtrl-sci2007★ 28 cited

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…

cond-mat.mtrl-sci2007★ 21 cited

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…

cond-mat.mtrl-sci2007★ 12 cited

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…

cond-mat.mtrl-sci2007★ 23 cited

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…

cond-mat.mtrl-sci2007★ 42 cited

Structural transformations of double-walled carbon nanotube bundle under hydrostatic pressure

Xiaoping Yang, Gang Wu, Jinming Dong

Three kinds of the response mechanisms to the external pressure have been found for double-walled carbon nanotube (DWNT) bundle, depending strongly on their average radius and symm…

cond-mat.mtrl-sci2007★ 19 cited

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…