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- 1. Appl. Phys. Lett. 90, 013104 (2007) , “Scanning tunneling microscopy investigations of hydrogen plasma-induced electron scattering centers on single-walled carbon nanotubes”, G. Buchs, P. Ruffieux, P. Gröning, and O. GröningThe authors report on the generation of localized defects on single-walled carbon nanotubes by means of a hydrogen electron cyclotron resonance plasma. The defects have been investigated using scanning tunneling microscopy (STM) and show an apparent topographic height in the STM of 1–3 ... (Read more)
- 2. Phys. Rev. B 75, 195335 (2007) , “Computational and experimental imaging of Mn defects on GaAs (110) cross-sectional surfaces”, A. Stroppa, X. Duan, M. Peressi, D. Furlanetto, and S. ModestiWe present a combined experimental and computational study of the (110) cross-sectional surface of Mn δ-doped GaAs samples. We focus our study on three different selected Mn defect configurations not previously studied in detail, namely surface interstitial Mn, isolated and in pairs, and... (Read more)
- 3. Phys. Rev. B 75, 195209 (2007) , “Mechanism and energetics of self-interstitial formation and diffusion in silicon”, Ramakrishnan Vaidyanathan, Michael Y. L. Jung, and Edmund G. SeebauerRecent work has suggested that prior determinations of diffusion mechanism and point defect thermodynamics in silicon have been affected by nonequilibrium effects stemming from uncontrolled adsorption-induced suppression of a pathway for defect creation at the surface. Through silicon self-diffusion... (Read more)
- 4. Phys. Rev. B 75, 193409 (2007) , “Magnetic properties of vacancies in a graphitic boron nitride sheet by first-principles pseudopotential calculations”, M. S. Si and D. S. XueWe use ab initio methods to calculate the magnetic properties of vacancies in a graphitic boron nitride sheet (g-BN). By applying a full spin-polarized description to the system, we demonstrate that the nitrogen vacancy (VN) or the boron vacancy (VB)... (Read more)
- 5. Phys. Rev. B 75, 115418 (2007) , “Early stages of radiation damage in graphite and carbon nanostructures: A first-principles molecular dynamics study”, Oleg V. Yazyev, Ivano Tavernelli, Ursula Rothlisberger, and Lothar HelmUnderstanding radiation-induced defect formation in carbon materials is crucial for nuclear technology and for the manufacturing of nanostructures with desired properties. Using first-principles molecular dynamics, we perform a systematic study of the nonequilibrium processes of radiation damage in... (Read more)
- 6. Phys. Rev. B 75, 085439 (2007) , “Real-space investigation of fast diffusion of hydrogen on Si(001) by a combination of nanosecond laser heating and STM”, C. H. Schwalb, M. Lawrenz, M. Dürr,, and U. HöferThe rearrangement of silicon dangling bonds induced by pulsed laser heating of monohydride-covered Si(001) surfaces has been studied by means of scanning tunneling microscopy (STM). The initial configurations, which were created by laser-induced thermal desorption, consist of isolated pairs of... (Read more)
- 7. Phys. Rev. B 75, 085423 (2007) , “Room-temperature atmospheric oxidation of Si nanocrystals after HF etching”, X. D. Pi, L. Mangolini, S. A. Campbell, and U. KortshagenThe effect of HF etching of the silicon oxide shell covering the surface of Si nanocrystals (NCs) on the subsequent room-temperature atmospheric oxidation of Si-NCs has been investigated by means of photoluminescence measurements, Fourier transform infrared spectroscopy, and electron paramagnetic... (Read more)
- 8. Phys. Rev. B 75, 085301 (2007) , “Electron backscatter diffraction and electron channeling contrast imaging of tilt and dislocations in nitride thin films”, C. Trager-Cowan, F. Sweeney, P. W. Trimby, A. P. Day, A. Gholinia, N.-H. Schmidt, P. J. Parbrook, A. J. Wilkinson, and I. M. WatsonIn this paper we describe the use of electron backscatter diffraction (EBSD) mapping and electron channeling contrast imaging—in the scanning electron microscope—to study tilt, atomic steps and dislocations in epitaxial GaN thin films. We show results from a series of GaN thin films of... (Read more)
- 9. Phys. Rev. B 75, 075420 (2007) , “Ab initio study of hydrogen interaction with pure and nitrogen-doped carbon nanotubes”, Zhiyong Zhang and Kyeongjae ChoDetailed studies of mechanisms for hydrogen dissociative adsorption and diffusion on pure and nitrogen-doped (8, 0) carbon nanotubes are carried out using the first-principles density functional theory method. (1) For pure carbon nanotubes, we have identified the energetically most favorable... (Read more)
- 10. Phys. Rev. B 75, 073409 (2007) , “Why thermal H2 molecules adsorb on SiC(001)-c(4×2) and not on SiC(001)-(3×2) at room temperature”, Xiangyang Peng, Peter Krüger, and Johannes PollmannIn a recent experiment, Derycke et al. have made the exciting observation that H2 molecules readily adsorb dissociatively on the c(4×2) but not on the 3×2 surface of SiC(001) at room temperature. To unravel this spectacular reactivity difference, we have investigated a... (Read more)
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