Showing 2009 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2009★ 50 cited

Electronic and Magnetic Properties of Partially-Open Carbon Nanotubes

Bing Huang, Young-Woo Son, Gunn Kim +2

On the basis of the spin-polarized density functional theory calculations, we demonstrate that partially-open carbon nanotubes (CNTs) observed in recent experiments have rich elect…

cond-mat.mtrl-sci2009★ 11 cited

Multiple Localized States and Magnetic Orderings in Partially Open Zigzag Carbon Nanotube Superlattices: An Ab Initio Study

Bing Huang, Zuanyi Li, Young-Woo Son +3

Using first-principles calculations, we examine the electronic and magnetic properties of partially open zigzag carbon nanotube (CNT) superlattices. It is found that depending on t…

cond-mat.mtrl-sci2009★ 1.5k cited

Crossover of Three-Dimensional Topological Insulator of Bi2Se3 to the Two-Dimensional Limit

Yi Zhang, Ke He, Cui-Zu Chang +13

Bi2Se3 is theoretically predicted1 2and experimentally observed2,3 to be a three dimensional topological insulator. For possible applications, it is important to understand the ele…

cond-mat.mtrl-sci2009★ 85 cited

Topology of the polarization field in ferroelectric nanowires from first principles

J. W. Hong, G. Catalan, D. N. Fang +2

The behaviour of the cross-sectional polarization field is explored for thin nanowires of barium titanate from first-principles calculations. Topological defects of different windi…

cond-mat.mtrl-sci2009

Structures and magnetic properties of ZnO nanoislands

Yu Yang, Ping Zhang

Using first-principles calculations, we systematically study the atomic structures and electronic properties for two dimensional triangular ZnO nanoislands that are graphite-like w…

cond-mat.mtrl-sci2009★ 11 cited

Optical phonon scattering and theory of magneto-polarons in a quantum cascade laser in a strong magnetic field

Yu Chen, N. Regnault, R. Ferreira +2

We report a theoretical study of the carrier relaxation in a quantum cascade laser (QCL) subjected to a strong magnetic field. Both the alloy (GaInAs) disorder effects and the Froh…

cond-mat.mtrl-sci2009★ 109 cited

Engineering graphene by oxidation: a first principles study

Zhiping Xu, Kun Xue

Graphene epoxide, with oxygen atoms lining up on pristine graphene sheets, is investigated theoretically in this Letter. Two distinct phases: metastable clamped and unzipped struct…