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- 1. 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)
- 2. 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)
- 3. 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)
- 4. 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)
- 5. 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)
- 6. Phys. Rev. B 70, 115203 (2004) , “Different roles of carbon and silicon interstitials in the interstitial-mediated boron diffusion in SiC”, Michel Bockstedte, Alexander Mattausch, and Oleg PankratovThe interstitial and vacancy mediated boron diffusion in silicon carbide is investigated with an ab initio method. The boron interstitials in p-type and n-type materials are found to be far more mobile than the boron-vacancy complexes. A kick-out mechanism and an interstitialcy... (Read more)
- 7. Phys. Rev. B 69, 233202 (2004) , “Diffusion of hydrogen in perfect, p-type doped, and radiation-damaged 4H-SiC”, B. Aradi, P. Deák, A. Gali, N. T. Son, E. JanzénThe diffusion of interstitial atomic hydrogen in 4H-SiC was investigated theoretically, using the local density approximation of density functional theory. We have found that the diffusion barrier in the perfect crystal is 0.6 eV. Comparing this value with the calculated zero point vibration... (Read more)
- 8. Phys. Rev. B 69, 125203 (2004) , “First-principles studies of the diffusion of B impurities and vacancies in SiC”, R. Rurali, E. Hernández, P. Godignon, J. Rebollo, and P. OrdejónIn this paper we analyze, by means of first-principles electronic structure calculations, the structural, energetic, and diffusive properties of B impurities in SiC as well as of vacancies. We focus our study on (i) determining the equilibrium structures of the impurity in the lattice by means of... (Read more)
- 9. Phys. Rev. B 66, 161202(R) (2002) , “Phosphorus and sulphur doping of diamond”, L. G. Wang and Alex ZungerPrevious calculations on n-type doping of diamond by P and S predicted that S has a shallower level and a higher solubility than P. Our first-principles calculations show that the opposite is true: Phosphorus impurity in diamond gives rise to a shallower donor level, and has a higher bulk solid... (Read more)
- 10. Phys. Rev. B 64, 235202 (2001) , “Photosensitive electron paramagnetic resonance spectra in semi-insulating 4H SiC crystals”, E. N. Kalabukhova, S. N. Lukin, A. Saxler, W. C. Mitchel, S. R. Smith, J. S. Solomon, A. O. EvwarayePhotosensitive electron paramagnetic resonance (EPR) investigations of unintentionally doped, semi-insulating (s.i.) 4H–SiC have been made at 37 GHz and 77 K including photoexcitation and photoquenching experiments. In the dark the EPR spectrum consists of a low intensity line due to boron on the... (Read more)
- 11. Physica B 308-310, 691 (2001) , “Contactless studies of semi-insulating 4H–SiC”, W. E. Carlos, W. J. Moore, G. C. B Braga, J. A. Freitas, Jr. , E. R. Glaser and B. V. ShanabrookSemi-insulating (SI) silicon carbide is important for applications in high-power, high-frequency electronics, such as SiC MESFETs and GaN FETs. In this work, we discuss the use of low-temperature electron paramagnetic resonance (EPR), room- and low-temperature FTIR and photoluminescence as potential... (Read more)
- 12. Phys. Rev. B 57, 1607 (1998) , “Electronic structure of the deep boron acceptor in boron-doped 6H-SiC”, A. v. Duijn-Arnold, T. Ikoma, O. G. Poluektov, P. G. Baranov, E. N. Mokhov, J. SchmidtA high-frequency (95 GHz) and conventional-frequency (9.3 GHz) pulsed electron paramagnetic resonance and electron-nuclear double resonance (ENDOR) study is reported on the deep boron acceptor in 6H-SiC. The results support a model in which the deep boron acceptor consists of a boron on a silicon... (Read more)
- 13. phys. stat. sol. (a) 162, 95-151 (1997) , “EPR and ENDOR Investigations of Shallow Impurities in SiC Polytypes”, S. Greulich-WeberInvestigations of nitrogen donors in 6H-, 4H- and 3C-SiC using conventional electron paramagnetic resonance (EPR), electron nuclear double resonance (ENDOR) and optical detection of EPR and ENDOR as well as optical absorption and emission spectroscopy are reviewed and critically discussed. An... (Read more)
- 14. Phys. Rev. Lett. 73, 3419 (1994) , “Non-Arrhenius Reorientation Kinetics for the B-H Complex in Si: Evidence for Thermally Assisted Tunneling”, Y. Michael Cheng and Michael StavolaThe B-H complex in Si can be aligned by stress and reorients with an activation energy of roughly 0.2 eV. We combine new measurements of the reorientation kinetics of the B-H complex made by the stress-induced dichroism technique with previous internal friction results to show that the reorientation... (Read more)
- 15. Phys. Rev. B 47, 3620-3625 (1993) , “{H,B}, {H,C}, and {H,Si} pairs in silicon and germanium”, Dj. M. Maric, P. F. Meier, S. K. EstreicherThe interactions between interstitial H and substitutional B, C, and Si in crystalline silicon and germanium are studied in molecular clusters at the ab initio Hartree-Fock level with large basis sets. The energetics, electronic structures, and relative stabilities of these pairs are determined. Our... (Read more)
- 16. Phys. Rev. B 44, 11486-11489 (1991) , “Reorientation of the B-H complex in silicon by anelastic relaxation experiments”, G. Cannelli, R. Cantelli, M. Capizzi, C. Coluzza, F. Cordero, A. Frova, A. Lo PrestiThe elastic energy loss between 60 and 300 K was measured in SiBxHy at frequencies between 2.4 and 32 kHz. A single-time relaxation process appears in the neighborhood of 130 K, which is due to the stress-induced jumps of H around B, with a relaxation time... (Read more)
- 17. Phys. Rev. Lett. 61, 2786 (1988) , “Hydrogen Motion in Defect Complexes: Reorientation Kinetics of the B-H Complex in Silicon”, Michael Stavola, K. Bergman, S. J. Pearton, and J. LopataThe motion of hydrogen in the B-H complex in silicon has been studied. An applied stress is used to produce a preferential alignment of the B-H complex at temperatures sufficiently high for the H to move within the complex (above ∼60 K). This alignment of the complexes is detected by comparing the... (Read more)
- 18. Phys. Rev. B 35, 1582 (1987) , “Electronic and Atomic Structure of the Boron-Vacancy Complex in Silicon”, M. Sprenger, R. van Kemp, E. G. Sieverts, and C. A. J. AmmerlaanIn electron-irradiated boron-doped silicon the electron paramagnetic resonance spectrum Si-G10 has been studied. Earlier this spectrum had tentatively been identified with a boron-vacancy complex in a next-nearest-neighbor configuration. With electron-nuclear double resonance the hyperfine and... (Read more)
- 19. Appl. Phys. Lett. 46, 882 (1985) , “Atomic deuterium passivation of boron acceptor levels in silicon crystals”, J. C. Mikkelsen, Jr.B-doped Si wafers were subjected to atomic-deuterium (D) plasmas to simulate the reactions of atomic hydrogen with substitutional B acceptor levels. Secondary ion mass spectrometry was used to profile the in- and out-diffusion of D, and spreading resistance was used to measure the distribution of... (Read more)
- 20. Phys. Rev. B 13, 2511 (1976) , “EPR of a Trapped Vacancy in Boron-Doped Silicon”, G. D. Watkins.An S=1/2 EPR spectrum, labeled Si-G10, is tentatively identified as a lattice vacancy trapped by substitutional boron in silicon. It is produced in boron-doped vacuum floating-zone silicon by 1.5-MeV-electron irradiation at 20.4 K followed by an anneal at ? 180 K, where the isolated vacancy... (Read more)
- 21. Phys. Rev. Lett. 5, 309 (1960) , “Paramagnetic Resonance Absorption from Acceptors in Silicon”, G. Feher, J. C. Hensel, and E. A. GereIn the past,several attempts to observe the paramagnetic absorption from acceptors in silicon were unsuccessful.The reasons for this failure were pointed out by Kohn and are associated with the degeneracy of the valence band in silicon.We wish to report in this Letter the observation of the... (Read more)
- 22. Solid State Physics 5, 258-319 (1957) , Academic Press, New York (Edited by F. Seitz, D. Turnbull) , “Shallow Impurity States in Silicon and Germanium”, W. KohnI. Introduction (p.258): II. Emprical Properties (p.261): 1. Energy Levels (p.261), a. Ionization Energies, b. Spectra of Excited States, 2. Spin Resonance (p.266), a. Electron Spin Resonance, b. Double Resonance, 3. Static Magnetic Susceptibility (p.271), III. Structure of Donor States (p.271): 4. Conduction Bands of Silicon and Germanium (p.271), a. Silicon, b. Germanium, 5. Effective Mass Theory of Donor States (p.274), a. Single Band Minimum at k=0, b. Several Conduction Band Minima, c. Matrix Elements for Radiative Transitions, 6. Numerical Results and Comparison with Experiments (p.285), a. Energy Levels, b. Wave Functions, 7. Corrections to the Effective Mass Formalism (p.289), a. General Considerations, b. Corrected Wave Functions, c. Comparison with Experiment, IV. Structure of Acceptor States (p.297): 8. Valence Bands of Silicon and Germanium (p.297), a. Silicon, b. Germanium, 9. Effective Mass Equations for Acceptor States (p.300), 10. Approximate Solutions and Comparison with Experiment (p.301) a. Germanium b. Silicon V.Effects of Strains and of Static Electric and Magnetic Fields (p.306): 11. Strains (p.306) a. Donor States, b. Acceptor States, 12. Stark Effect (p.311)
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