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- 1. 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)
- 2. Phys. Rev. B 75, 085416 (2007) , “Ab initio theoretical study of hydrogen and its interaction with boron acceptors and nitrogen donors in single-wall silicon carbide nanotubes”, A. GaliSilicon carbide nanotubes have a great potential for biological applications. It is of interest to explore the electronic properties of these nanotubes, and how those are modified in the presence of impurities. Hydrogen is a common impurity that can appear during the growth of silicon carbide... (Read more)
- 3. Phys. Rev. B 75, 075202 (2007) , “Theoretical study of Li and Na as n-type dopants for diamond”, J. P. Goss and P. R. BriddonPhosphorus is the n-type dopant of choice for diamond, but results in a deep donor level and alternatives are being sought. One possibility is the incorporation of interstitial alkali metal impurities such as Li and Na. We present the results of density-functional calculations used to predict... (Read more)
- 4. Phys. Rev. B 75, 035211 (2007) , “Self- and foreign-atom diffusion in semiconductor isotope heterostructures. II. Experimental results for silicon”, H. Bracht, H. H. Silvestri, I. D. Sharp, and E. E. HallerWe report the diffusion of boron, arsenic, and phosphorus in silicon isotope multilayer structures at temperatures between 850 °C and 1100 °C. The diffusion of all dopants and self-atoms at a given temperature is modeled with the same setting of all native-point-defect-related parameters.... (Read more)
- 5. Phys. Rev. B 75, 033301 (2007) , “Microscopic evidence for evolution of superconductivity by effective carrier doping in boron-doped diamond: 11B-NMR study”, H. Mukuda, T. Tsuchida, A. Harada, Y. Kitaoka, T. Takenouchi, Y. Takano, M. Nagao, I. Sakaguchi, T. Oguchi, and H. KawaradaWe have investigated the superconductivity discovered in boron-doped diamonds by means of 11B-NMR on heteroepitaxially grown (111) and (100) films. 11B-NMR spectra for all of the films are identified to arise from the substitutional B(1) site as single occupation and lower... (Read more)
- 6. Phys. Rev. Lett. 98, 096805 (2007) , “Observation of the Linear Stark Effect in a Single Acceptor in Si”, L. E. Calvet, R. G. Wheeler, and M. A. ReedThe Stark splitting of a single fourfold degenerate impurity located within the built-in potential of a metal-semiconductor contact is investigated using low temperature transport measurements. A model is developed and used to analyze transport as a function of temperature, bias voltage, and... (Read more)
- 7. Phys. Rev. Lett. 98, 015501 (2007) , “First-Principles Simulations of Boron Diffusion in Graphite”, I. Suarez-Martinez, A. A. El-Barbary, G. Savini, and M. I. HeggieBoron strongly modifies electronic and diffusion properties of graphite. We report the first ab initio study of boron interaction with the point defects in graphite, which includes structures, thermodynamics, and diffusion. A number of possible diffusion mechanisms of boron in graphite are... (Read more)
- 8. Appl. Phys. Lett. 89, 232112 (2006) , “Determination at 300 K of the hole capture cross section of chromium-boron pairs in p-type silicon”, S. Dubois, O. Palais, and P. J. RibeyronMeasurement of dissolved chromium concentration in p-type crystalline silicon by means of the change in carrier lifetime due to chromium-boron pair dissociation requires precise knowledge of the recombination parameters of dissolved chromium in silicon. This work, based on quasi-steady-state... (Read more)
- 9. Appl. Phys. Lett. 89, 232111 (2006) , “Electron-beam-induced dissociation of B–D complexes in diamond”, J. Barjon, J. Chevallier, F. Jomard, C. Baron, and A. DeneuvilleThe diffusion of deuterium in boron-doped homoepitaxial diamond films leads to the passivation of boron acceptors via the formation of B–D complexes. In this letter, the stability of B–D pairs is investigated under the stress of a low-energy (10 keV) electron-beam irradiation at low... (Read more)
- 10. Appl. Phys. Lett. 88, 021901 (2006) , “H-induced platelet and crack formation in hydrogenated epitaxial Si/Si0.98B0.02/Si structures”, L. Shao, Y. Lin, J. G. Swadener, J. K. Lee, Q. X. Jia, Y. Q. Wang, M. Nastasi, P. E. Thompson, N. D. Theodore, T. L. Alford, J. W. Mayer, P. Chen, S. S. LauAn approach to transfer a high-quality Si layer for the fabrication of silicon-on-insulator wafers has been proposed based on the investigation of platelet and crack formation in hydrogenated epitaxial Si/Si0.98B0.02/Si structures grown by molecular-beam epitaxy. H-related... (Read more)
- 11. J. Appl. Phys. 99, 113516 (2006) , “Investigation of the indium-boron interaction in silicon”, S. Scalese, S. Grasso, M. Italia, V. Privitera, J. S. Christensen, and B. G. SvenssonThe interaction between indium and boron coimplanted in silicon has been investigated. In particular, the effects of the coimplantation on the diffusion and the electrical activation have been studied in comparison with the single B or In implanted samples. It is shown that, by means of... (Read more)
- 12. J. Appl. Phys. 99, 093108 (2006) , “Extremely high quantum efficiency of donor-acceptor-pair emission in N-and-B-doped 6H-SiC”, S. Kamiyama, T. Maeda, Y. Nakamura, M. Iwaya, H. Amano, I. Akasaki, H. Kinoshita, T. Furusho, M. Yoshimoto, T. Kimoto, J. Suda, A. Henry, I. G. Ivanov, J. P. Bergman, B. Monemar, T. Onuma, and S. F. ChichibuHigh-efficiency visible light emission in N-and-B-doped 6H-SiC epilayers was observed in photoluminescence measurements at room temperature. The orange-yellow light emission due to the recombination of donor-acceptor pairs (DAPs) has a broad spectrum with a peak wavelength of 576 nm and a... (Read more)
- 13. J. Appl. Phys. 99, 073511 (2006) , “Effects of temperature and flux on oxygen bubble formation in Li borosilicate glass under electron beam irradiation”, Nadège Ollier, Giancarlo Rizza, Bruno Boizot, and Guillaume PetiteOxygen bubble formation and evolution under a 300 keV electron beam are analyzed in a Li borosilicate glass under different irradiation conditions: temperature, flux, and dose. Oxygen bubbles are observed to form in a delimited flux and temperature region with a threshold requirement. This region... (Read more)
- 14. J. Appl. Phys. 99, 013701 (2006) , “Electronically activated boron-oxygen-related recombination centers in crystalline silicon”, Karsten Bothe and Jan SchmidtTwo different boron- and oxygen-related recombination centers are found to be activated in crystalline silicon under illumination or electron injection in the dark, both leading to a severe degradation in the carrier lifetime. While one center forms on a time scale of seconds to minutes, the... (Read more)
- 15. Phys. Rev. B 74, 165404 (2006) , “Density functional study of gold atoms and clusters on a graphite (0001) surface with defects”, Jaakko Akola and Hannu HäkkinenAdsorption of gold atoms and clusters (N=6) on a graphite (0001) surface with defects has been studied using density functional theory. In addition to perfect graphite (0001), three types of surface defects have been considered: a surface vacancy (hole), a pyridinelike defect comprising three... (Read more)
- 16. Phys. Rev. B 74, 155204 (2006) , “Vibronic spectrum of c-BN measured with cathodoluminescence”, C. Manfredotti, R. Cossio, A. Lo Giudice, E. Vittone, and F. FizzottiAn extended vibronic spectrum (up to six phonon replicas) has been measured by low temperature cathodoluminescence in pure c-BN microcrystalline samples obtained by high temperature high pressure method. The zero phonon line, found at 3.573 eV, should be connected to a center identified... (Read more)
- 17. Phys. Rev. B 74, 153403 (2006) , “Doping and the unique role of vacancies in promoting the magnetic ground state in carbon nanotubes and C60 polymers”, Antonis N. Andriotis, R. Michael Sheetz, and Madhu MenonThe role of various types of defects in establishing the magnetic properties of the C60-based polymers and the single-wall carbon nanotubes is investigated. Comparing the role of carbon vacancies, and that of substitutional impurity atoms X (X=N, B, O, Si, P, and S) in... (Read more)
- 18. Phys. Rev. B 74, 140502(R) (2006) , “Lattice parameters and thermal expansion of superconducting boron-doped diamonds”, V. V. Brazhkin, E. A. Ekimov, A. G. Lyapin, S. V. Popova, A. V. Rakhmanina, S. M. Stishov, V. M. Lebedev, Y. Katayama, and K. KatoUsing two different high-pressure techniques, we have prepared boron-doped diamonds with atomic concentration of the dopant ranging from 0.04% to 4% (from 7×1019 to 7×1021 atom/cm3) and studied the lattice constants and thermal expansion of the diamonds... (Read more)
- 19. Phys. Rev. B 73, 245415 (2006) , “Ab initio study of nitrogen and boron substitutional impurities in single-wall SiC nanotubes”, A. GaliSilicon carbide nanotubes have a great potential for application in chemical sensors in harsh environment or in biological sensors. It is of interest to explore the electronic properties of these nanotubes, and how those are modified in the presence of impurities. It is well known that nitrogen and... (Read more)
- 20. Phys. Rev. B 73, 245210 (2006) , “First-principles investigation of a bistable boron-oxygen interstitial pair in Si”, A. Carvalho, R. Jones, M. Sanati, S. K. Estreicher, J. Coutinho, and P. R. BriddonLocal density functional calculations are used to predict and compare the properties of the two distinct interstitial boron-interstitial oxygen (BiOi) complexes recently reported in the literature. The electronic and free energies, as well as the small... (Read more)
- 21. Phys. Rev. Lett. 97, 256602 (2006) , “Bistability-Mediated Carrier Recombination at Light-Induced Boron-Oxygen Complexes in Silicon”, Mao-Hua Du, Howard M. Branz, Richard S. Crandall, and S. B. ZhangA first-principles study of the BO2 complex in B-doped Czochralski Si reveals a defect-bistability-mediated carrier recombination mechanism, which contrasts with the standard fixed-level Shockley-Read-Hall model of recombination. An O2 dimer distant from B causes only weak... (Read more)
- 22. Phys. Rev. Lett. 97, 255902 (2006) , “Atomistic Mechanism of Boron Diffusion in Silicon”, Davide De Salvador, Enrico Napolitani, Salvatore Mirabella, Gabriele Bisognin, Giuliana Impellizzeri, Alberto Carnera, and Francesco PrioloB diffuses in crystalline Si by reacting with a Si self-interstitial (I) with a frequency g and so forming a fast migrating BI complex that can migrate for an average length λ. We experimentally demonstrate that both g and λ strongly depend on the free hole... (Read more)
- 23. Appl. Phys. Lett. 87, 262108 (2005) , “Fast-forming boron-oxygen-related recombination center in crystalline silicon”, Karsten Bothe and Jan SchmidtThe mechanism of a fast carrier lifetime degradation effect proceeding within seconds in boron-doped Czochralski silicon is investigated. The decrease in the carrier lifetime is attributed to the formation of a deep boron-oxygen-related recombination center with a strongly asymmetric... (Read more)
- 24. Phys. Rev. B 72, 045219 (2005) , “Fluorine in Si: Native-defect complexes and the supression of impurity diffusion”, Giorgia M. Lopez, Vincenzo Fiorentini, Giuliana Impellizzeri, Salvatore Mirabella, Enrico NapolitaniThe transient enhanced diffusion of acceptor impurities severely affects the realization of ultrahigh doping regions in miniaturized Si-based devices. Fluorine codoping has been found to suppress this transient diffusion, but the mechanism underlying this effect is not understood. It has been proposed that fluorine-impurity or fluorine–native-defect interactions may be responsible. Here we clarify this mechanism combining first-principles theoretical studies of fluorine in Si and purposely designed experiments on Si structures containing boron and fluorine. The central interaction mechanism is the preferential binding of fluorine to Si-vacancy dangling bonds and the consequent formation of vacancy-fluorine complexes. The latter effectively act as traps for the excess self-interstitials that would normally cause boron transient enhanced diffusion. Instead, fluorine-boron interactions are marginal and do not play any significant role. Our results are also consistent with other observations such as native-defect trapping and bubble formation. (Read more)
- 25. Phys. Rev. B 71, 035213 (2005) , “Possibility for the electrical activation of the carbon antisite by hydrogen in SiC”, A. Gali, P. Deák, N. T. Son, and E. JanzénCalculations predict the carbon antisite to be the most abundant intrinsic defect in silicon carbide in a wide range of doping. The isolated carbon antisite is, however, optically and electronically inactive, therefore, difficult to observe by usual experimental techniques. However, CSi... (Read more)
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