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- 1. 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)
- 2. 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)
- 3. 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)
- 4. Phys. Rev. Lett. 98, 026801 (2007) , “Surface Dangling-Bond States and Band Lineups in Hydrogen-Terminated Si, Ge, and Ge/Si Nanowires”, R. Kagimura, R. W. Nunes, and H. ChachamWe report an ab initio study of the electronic properties of surface dangling-bond (SDB) states in hydrogen-terminated Si and Ge nanowires with diameters between 1 and 2 nm, Ge/Si nanowire heterostructures, and Si and Ge (111) surfaces. We find that the charge transition levels ε(+/-)... (Read more)
- 5. Appl. Phys. Lett. 89, 041916 (2006) , “Photoluminescence evaluation of defects generated during SiGe-on-insulator virtual substrate fabrication: Temperature ramping process”, Dong Wang, Seiichiro Ii, Hiroshi Nakashima, Ken-ichi Ikeda, Hideharu Nakashima, Koji Matsumoto, and Masahiko NakamaeCrystal qualities of Si/SiGe/Si-on-insulator structures with different SiGe thicknesses were evaluated by photoluminescence (PL). The wafers were annealed at different temperatures with a ramping rate of 5 °C/min. Free exciton PL peaks were clearly observed for the as-grown wafers and decreased... (Read more)
- 6. Phys. Rev. B 74, 235301 (2006) , “Precursor mechanism for interaction of bulk interstitial atoms with Si(100)”, Xiao Zhang, Min Yu, Charlotte T. M. Kwok, Ramakrishnan Vaidyanathan, Richard D. Braatz, and Edmund G. SeebauerIn the same way that gases react with surfaces from above, solid-state point defects such as interstitial atoms can react from below. Little attention has been paid to this form of surface chemistry. Recent bulk self-diffusion measurements near the Si(100) surface have quantified Si interstitial... (Read more)
- 7. Phys. Rev. B 74, 205324 (2006) , “Surface smoothness of plasma-deposited amorphous silicon thin films: Surface diffusion of radical precursors and mechanism of Si incorporation”, Mayur S. Valipa, Tamas Bakos, and Dimitrios MaroudasWe present a detailed analysis of the fundamental atomic-scale processes that determine the surface smoothness of hydrogenated amorphous silicon (a-Si:H) thin films. The analysis is based on a synergistic combination of molecular-dynamics (MD) simulations of radical precursor migration on surfaces... (Read more)
- 8. Phys. Rev. B 74, 153311 (2006) , “Electron transport in laterally confined phosphorus δ layers in silicon”, S. J. Robinson, J. S. Kline, H. J. Wheelwright, J. R. Tucker, C. L. Yang, R. R. Du, B. E. Volland, I. W. Rangelow, and T.-C. ShenTwo-dimensional electron systems fabricated from a single layer of P-donors have been lithographically confined to nanometer scale in lateral directions. The electronic transport of such quasi-one-dimensional systems with and without a perpendicular magnetic field was characterized at cryogenic... (Read more)
- 9. Phys. Rev. B 74, 113301 (2006) , “Reactions of excess hydrogen at a Si(111) surface with H termination: First-principles calculations”, L. Tsetseris, S. T. PantelidesHydrogen reactions with silicon substrates is an established technique for the study and control of surface morphology. Here, we report the results of first-principles calculations on the trapping and depassivation reactions involving excess hydrogen (x-H) at a fully H-passivated Si(111) surface. We find that x-H atoms can depassivate Si-H bonds with a small barrier of 0.8 eV, or they can get trapped in very stable configurations that comprise of a dihydride and a vicinal Si-H bond. Desorption of H2 molecules from these complexes has an activation energy of 1.68 eV, which can account for pertinent experimental data. We discuss also the effect of strain on the possibility of altering the x-H surface profile. (Read more)
- 10. Phys. Rev. B 74, 033304 (2006) , “5-7-5 line defects on As/Si(100): A general stress-relief mechanism for V/IV surfaces”, W. E. McMahon, Iskander G. Batyrev, T. Hannappel, J. M. Olson, and S. B. ZhangAn entire family of nano-scale trenches, ridges, and steps has been observed experimentally on AsH3-exposed Si(100). Some of these line structures have been observed previously, but their structures have remained a mystery. Theoretical modeling shows that they are all based upon the same... (Read more)
- 11. Phys. Rev. B 73, 073302 (2006) , “Origin of Pb1 center at SiO2/Si(100) interface: First-principles calculations”, K. Kato, T. Yamasaki, T. UdaBased on first-principles calculations, we studied the generation behavior of Pb centers at SiO2/Si interfaces, especially for Pb1 centers, under oxidation of Si(100) surfaces. Pb1 centers were found to be formed... (Read more)
- 12. Phys. Rev. Lett. 97, 016102 (2006) , “Scaling and Universality of Roughening in Thermal Oxidation of Si(001)”, Hiroo Omi, Hiroyuki Kageshima, and Masashi UematsuBy analyzing atomic force microscopy images, we derive a continuum equation that quantitatively explains the roughening at the Si(001)-SiO2 interface during thermal oxidation at the temperature at 1200 °C in an Ar atmosphere containing a small fraction of O2. We also show... (Read more)
- 13. Phys. Rev. Lett. 92, 105505 (2004) , “In situ ESR Observation of Interface Dangling Bond Formation Processes During Ultrathin SiO2 Growth on Si(111)”, W. Futako, N. Mizuochi, and S. YamasakiWe report the formation processes of interface dangling bonds (Pb centers) during initial oxidation of a clean Si(111) surface using an ultrahigh-vacuum electron-spin-resonance technique. At the oxidation of one or two Si layer(s), the Pb center... (Read more)
- 14. Phys. Rev. B 67, 195338 (2003) , “Layer-resolved kinetics of Si oxidation investigated using the reflectance difference oscillation method”, T. Yasuda, N. Kumagai, M. Nishizawa, S. Yamasaki, H. Oheda, and K. YamabeDry oxidation kinetics of the Si(001) surface has been investigated using reflectance difference oscillation to resolve atomic-scale phenomena. The activation energy for oxidation has been found to increase as the oxide-Si interface moves in the depth direction, reaching the value for bulk... (Read more)
- 15. Phys. Rev. Lett. 86, 1054 (2001) , “Electron Spin Resonance Observation of the Si(111)- (7×7) Surface and Its Oxidation Process”, Takahide Umeda, Masayasu Nishizawa, Tetsuji Yasuda, Junichi Isoya, Satoshi Yamasaki, and Kazunobu TanakaElectron spin resonance (ESR) observation of dangling-bond states on the Si(111)- (7×7) surface is demonstrated for the first time. The ESR spectra clearly show that a reaction of molecular oxygen with the Si(111)- (7×7) surface is associated with the appearance of a new dangling-bond center at... (Read more)Si SiO2| EPR STM/AFM/SPM| Oxygen Pb Ps0 Ps1 Silicon dangling-bond interface surface .inp files: Si/surface(111) | last update: Masatoshi Sasaki
- 16. Phys. Rev. Lett. 85, 2324-2327 (2000) , “Fast Diffusion of H and Creation of Dangling Bonds in Hydrogenated Amorphous Silicon Studied by in situ ESR”, U. K. Das, T. Yasuda, and S. YamasakiThe interaction of atomic hydrogen with a-Si:H films was studied by means of in situ ESR during H plasma treatment. H diffuses into the a-Si:H film and creates additional Si dangling bonds (∼1013 cm -2). We observed a high diffusion coefficient (>10-10  cm... (Read more)
- 17. Appl. Phys. Lett. 70, 1137 (1997) , “In situ electron-spin-resonance measurements of film growth of hydrogenated amorphous silicon”, Satoshi Yamasaki, Takahide Umeda, Junichi Isoya, and Kazunobu TanakaIn situ electron-spin-resonance (ESR) measurements of film growth of hydrogenated amorphous silicon (a-Si:H) using a remote hydrogen plasma technique have been performed. The Si dangling-bond signal in a-Si:H during and after deposition has been detected, in addition to the... (Read more)
- 18. Phys. Rev. 170, 705 (1968) , “Electron Paramagnetic Resonance from Clean Single-Crystal Cleavage Surfaces of Silicon”, D. Haneman.EPR measurements have been made on aligned cleavage faces of Si, prepared and studied in high vacuum (<10-9 Torr). The signal, observable after accumulation, is a single line at g=2.0055 with width 6 G, similar to that from vacuum-crushed powders. It is unaffected by oxygen exposures... (Read more)
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