The vibrational lifetimes of the O-H and O-D stretch modes in the perovskite oxide KTaO3 are measured by pump-probe infrared spectroscopy. Both stretch modes are exceptionally long lived and exhibit a large “reverse” isotope effect, due to a phonon-assisted proton-tunneling process, which involves the O-Ta-O bending motion. The excited-state tunneling rate is found to be 7 orders of magnitude larger than from the ground state in the proton conducting oxide, BaCeO3 [Phys. Rev. B 60, R3713 (1999)]. (Read more)

In ultralow-k dielectric systems, the porous dielectrics are normally sealed by a SiC film before the deposition of a Ta diffusion barrier layer. However, the Ta barrier effects are negated when the SiC films are fabricated by plasma-enhanced chemical vapor deposition (PECVD). Through large... (Read more)

Secondary ion mass spectrometry and photoluminescence are employed to evaluate the origin and efficiency of hydrogen passivation of nitrogen in GaNAs and GaNP. The hydrogen profiles are found to closely follow the N distributions, providing unambiguous evidence for their preferential binding as the... (Read more)

The 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)

Using ab initio total energy density-functional theory calculations, we investigated the electronic, structural, and magnetic properties of manganese-doped germanium nanowires. The nanowires have been constructed along the [110] direction and the dangling bonds on the surface have been... (Read more)

Realistic carbon nanotubes (CNTs) contain various structural defects by which the physical and chemical properties of the CNTs are significantly influenced. So, lowering the defect densities is of importance for the potential application of the CNTs. By performing tight-binding molecular dynamics... (Read more)

The 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)

The 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)

Silicon 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)

Detailed 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)

The vibrational lifetimes of a range of H-related defects and interstitial O (O_i) in Si, including isotopic substitutions, are calculated from first principles as a function of temperature. The theoretical approach is explained in detail. The vibrational lifetimes of... (Read more)

We present a detailed study of the comparative thermal evolutions of H- and D-related defects in silicon implanted with 2×10¹⁶ H or D/cm², or coimplanted with 0.25×10¹⁶ He/cm² and 0.7×10¹⁶ H/cm², in both orders.... (Read more)

In 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)

The role of hydrogen in the exfoliation of Ge is studied using cross-sectional transmission electron microscopy, atomic force microscopy, and multiple-internal transmission mode Fourier-transform infrared absorption spectroscopy and compared with the mechanism in silicon. A qualitative model for the... (Read more)

We 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)

First-principles plane-wave calculations were performed for hydroxyapatite (HAp) in order to investigate the electronic structure and vacancy formation mechanisms. The HAp unit cell contains PO₄ tetrahedra and OH groups formed by covalent P-O and H-O bonds. Ca ions play a role for... (Read more)

The formation of hydrogenlike muonium (Mu) has been studied as a function of implantation energy in intrinsic Si, thin films of condensed van der Waals gases (N₂, Ne, Ar, Xe), fused and crystalline quartz, and sapphire. By varying the initial energy of positive muons... (Read more)

The effects of confining molecular hydrogen within carbon nanohorns are studied via high-resolution quasielastic and inelastic neutron spectroscopies. Both sets of data are remarkably different from those obtained in bulk samples in the liquid and crystalline states. At temperatures where bulk... (Read more)

We address the role of excitonic coupling on the nature of photoexcitations in the conjugated polymer regioregular poly(3-hexylthiophene). By means of temperature-dependent absorption and photoluminescence spectroscopy, we show that optical emission is overwhelmingly dominated by weakly coupled H... (Read more)

Complexes formed by H and the isoelectronic impurity N in GaAs_1-yN_y alloys have been widely investigated because the significant effects of N on the GaAs properties and their passivation by H represent a unique tool for a defect engineering of semiconductors.... (Read more)

Ortho-para conversion of isolated interstitial H₂ in single-crystalline Si is studied by Raman scattering. This process is suggested to be caused by the interaction of H₂ with the nuclear magnetic moment of ²⁹Si. At 77 K the ortho-to-para conversion rate is... (Read more)

We 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)

Unlike the Si-SiO₂ interface, the SiC-SiO₂ interface has large defect densities. Though nitridation has been shown to reduce the defect density, the effect of H remains an open issue. Here we combine experimental data and the results of first-principles calculations to... (Read more)

Hydrogen is released from hydrogenated silicon nitride (SiN_x:H) during thermal treatments. The formation of molecular hydrogen (H₂) in SiN_x:H layers with low mass density is confirmed by Raman spectroscopy. However, no H₂ is observed in... (Read more)

Al₂O₃ thin films were deposited by atomic layer deposition on HF-cleaned and NH₃ plasma-treated GaAs surfaces, respectively. The precursors used for Al₂O₃ films are trimethylaluminum and water. Effects of NH₃ plasma pretreatment on... (Read more)

The authors have calculated that fluorine substituting for oxygen gives no gap states in HfO₂. This accounts for the good passivation of oxygen vacancies by F seen experimentally. Bonding arguments are used to account for why F may be the most effective passivant in ionic oxides such as... (Read more)

The effect of replacing H by D and C-12 by C-13 in the gas species used to grow different types of nanodiamond films on the Raman spectra of these films was studied. The modifications of the Raman spectra were investigated in submicron sized diamond films grown by hot filament chemical vapor... (Read more)

Using density functional theory, the interaction of hydrogen with a nitrogen vacancy in -Si₃N₄ is investigated. A single H atom was found to be energetically favorable over non- and doubly protonated vacancies. The traps composed of excess silicon and hydrogen have negative... (Read more)

The current-voltage characteristics with acceptor segregation at grain boundaries have been investigated in H₂-sintered SrTiO₃. Al-added SrTiO₃ was sintered in H₂ and then annealed in air for selective oxidation of grain boundaries. The samples showed... (Read more)

The formation of nanovoids upon high-dose hydrogen implantation and subsequent annealing in GaN is investigated by transmission electron microscopy. The epitaxial GaN layers on sapphire were implanted at room temperature with H₂⁺ ions at 100 keV with a dose of... (Read more)

In this work, the formation of donors in n-type high resistivity magnetic Czochralski-grown silicon wafers, directly exposed to a hydrogen plasma, is investigated by a combination of capacitance-voltage (C-V) and deep level transient spectroscopy (DLTS) measurements.... (Read more)

Hydrogenation by high temperature rapid annealing of SiN_x:H is found to be very effective on the defects responsible for the carrier trapping effect in multicrystalline silicon. The passivation effect is reversible and is annihilated by a long thermal annealing. As for the... (Read more)

Hydrogenated amorphous silicon (a-Si:H) films prepared using a molecular beam deposition (MBD) method show an unusually sharp, narrow infrared absorption peak at 2080–2090 cm^–1, which is thought to result from surface SiH species in the a-Si:H. The sharp, narrow... (Read more)

Based on theoretical calculations, we find that at p+ polycrystalline silicon (poly-Si)/HfO₂ gates, Si interstitials are easily migrated from the electrode, forming Hf–Si bonds with a charge transfer to the electrode, and the resulting interface dipole raises the Fermi level... (Read more)

The role of dimerization of atomic hydrogen to give molecular hydrogen in determining negative bias temperature instability (NBTI) kinetics is explored analytically. The time dependency of NBTI involving molecular hydrogen was found to obey a power law with a slope of 1/6, as opposed to the 1/4... (Read more)

Infrared absorption spectroscopy and ab initio density functional modeling are used to investigate hydrogen defects that are stable at and above room temperature in proton-implanted Ge-rich SiGe alloys. We find that Si atoms are effective nucleation sites for hydrogen, leading to the... (Read more)

Deep level transient spectroscopy was carried out to investigate the origin of the deep levels in the band gap of anatase TiO₂. The epitaxial anatase-TiO₂ film grown by metal-organic chemical vapor deposition possessed a deep level whose activation energy was 0.52 eV. In... (Read more)

The effect of forming gas and vacuum annealing on the concentration of carbon dangling bond (P_bC) centers at 3C- and 4H-SiC/SiO₂ interfaces has been studied by electron paramagnetic resonance (EPR) spectroscopy. Our results show efficient passivation at 400 °C and... (Read more)

Hydrogen-vacancy related defect (H1) in chemical vapor deposition homoepitaxial diamond films has been investigated by electron paramagnetic resonance and cathodoluminescence. It is found that the concentration of H1 significantly decreases as the dilution... (Read more)

An 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/Si_0.98B_0.02/Si structures grown by molecular-beam epitaxy. H-related... (Read more)

We report diffusion experiments where hydrogen permeates through a 1 mm wall of vitreous silica at 550 °C with applied gas pressures of 70, 460, 840, and 1200 mbars. For each pressure, and at steady state, the flux and the amount of hydrogen in the material are measured. Within the... (Read more)

Deuterated p-type GaN(Mg,²H) films were irradiated at room temperature with 1 MeV protons to create native point defects with a concentration approximately equal to the Mg doping (5×10¹⁹ cm^–3). The samples were then annealed isothermally at a... (Read more)

Micro-Raman spectroscopy and atomic force microscopy investigations have been applied on hydrogen implanted p-type Czochralski silicon samples to investigate the hydrogen related defects and their evolution after subsequent annealing. The thermal evolution of interstitial-hydrogen and... (Read more)

The effect of 2 MeV proton radiation on the introduction of deep levels in GaAs grown on compositionally graded SiGe/Si substrates was investigated using deep level transient spectroscopy (DLTS). Systematic comparisons were made with identical layers grown on both GaAs and Ge substrates to directly... (Read more)

Isothermal deep-level transient spectroscopy (DLTS) with a single pulse has been used to study the transformation behavior of hydrogen-related metastable defects labeled EM1 (E_c–0.28 eV) and EM2 (E_c–0.37 eV), which are observed in... (Read more)

This work presents far-infrared reflectivity spectra collected with synchrotron radiation on specially prepared CdTe monocrystals in the temperature region of 30–300 K. The investigated samples were of three different types characterized by the three different levels of... (Read more)

Hydrogen was implanted into IrO₂ (200 nm)/Pb(Zr,Ti)O₃/Pt thin film capacitors at 26 keV with a flux of 2×10¹⁵ H⁺ ions/cm² and also implanted at 20 keV with a flux of 1×10¹⁵ H⁺ ions/cm² into... (Read more)

Hydrogenated amorphous silicon carbide (a-SiC:H) films have been deposited using magnetron sputtering technique. An integrated investigation of the effect of vacuum annealing temperature on photoluminescence properties and paramagnetic defects and its correlation with structural... (Read more)

The effect of hydrogen implantation in silicon single crystals is studied using high-resolution x-ray scattering. Large strains normal to the sample surface are evidenced after implantation. A simple and direct procedure to extract the strain profile from the scattering data is described. A... (Read more)

The parametrization of our recently proposed model of the Staebler-Wronski effect (SWE) is improved, which leads to an even better agreement with the experimental photoconductivity of light-soaked a-Si:H. The numerical solution of the essential equation exhibits well the typical SWE behavior,... (Read more)

The energy spectrum of the traps and thermal stability of stored charge have been studied by the thermostimulated exoelectron emission method in hydrogenated H and deuterated D oxide-nitride-oxide (ONO) multilayer stacks of silicon-oxide-nitride-oxide-silicon (SONOS) nonvolatile memories. It is... (Read more)

Muon spin depolarization measurements performed on powdered InN with zero applied magnetic field reveal several positively charged diamagnetic muonium centers. At low temperatures, the Mu⁺ ground state is weakly relaxing with the characteristics of local tunneling motion, which changes to... (Read more)

Muon spin depolarization rates and hyperfine decoupling curves imply the existence of a neutral muonium center to high temperatures in AlN, providing an experimental model for interstitial atomic hydrogen. This center has a hyperfine interaction close to that of the free atom, but with a small... (Read more)

Progressive implantation of hydrogen atoms into graphite is modeled by first-principles density functional theory. The maximum H/C ratio was found at 53%, which is in good agreement with experimental results. The hydrogen trapping energy varies from −0.7 eV at very low concentrations to a... (Read more)

Isolated interstitial H₂ and H₂ bound to interstitial oxygen (O–H₂) in single-crystalline Si are studied by Raman scattering. Two Raman signals at 3199(1) and 3193(1) cm⁻¹ (T0 K) are identified as ro-vibrational transitions of... (Read more)

We 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)

NaAlH₄ and LiBH₄ are potential candidate materials for mobile hydrogen storage applications, yet they have the drawback of being highly stable and desorbing hydrogen only at elevated temperatures. In this letter, ab initio density functional theory calculations reveal... (Read more)

We have irradiated Li₂NH powder with MeV electrons at room temperature and investigated the introduced defects with electron spin resonance. Conduction electron spin resonance indicates the presence of nanosize metallic Li colloids seen as a Lorentzian line with a g=2.0023 and a... (Read more)

Si p-type (100) samples were coimplanted at room temperature with He⁺ ions at 30 keV with a dose of 1×10¹⁶ ions/cm² and successively with H⁺ ions at 24 keV with a dose of 1×10¹⁶ ions/cm². A series of samples was... (Read more)

Complicated phase relations in Cs₅H₃(SO₄)₄·xH₂O are revealed by thermal analyses. A superprotonic phase transition takes place at 420 K for both the hydrated and the anhydrous forms. The ¹H magic-angle-spinning (MAS) NMR... (Read more)

Hydrogen 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)

We use accurate first-principles methods to study the network dynamics of hydrogenated amorphous silicon, including the motion of hydrogen. In addition to studies of atomic dynamics in the electronic ground state, we also adopt a simple procedure to track the H dynamics in light-excited states.... (Read more)

Isolated hydrogen, deuterium, and muonium in diamond have been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 100 to 800 K. Interatomic interactions were modeled by a... (Read more)

Considerable interest has developed in the potential use of II–VI oxides as electronic and optical materials. In several cases, alkali atoms have been suggested as dopants. We report on the theoretical and experimental investigation of infrared and vibrational properties of a Li-OH complex in... (Read more)

High-resolution Laplace deep-level spectroscopy combined with the uniaxial stress technique has been used to study stress-energy piezospectroscopic tensor components of the platinum-dihydrogen complex in silicon. The effect of stress on the defect has been observed either as the stress-induced... (Read more)

Hydrogen diffusion in single crystal and polycrystalline zinc oxide was investigated by deuterium diffusion and hydrogen effusion experiments. Deuterium concentration depth profiles were measured as a function of the passivation temperature, while in H effusion experiments the molecular hydrogen... (Read more)

The infrared absorption spectra recorded on silicon crystals implanted with protons at cryogenic temperatures reveal three lines at 812, 1608, and 1791 cm^–1, which originate from the excitation of local vibrational modes of a H defect. Measurements carried out on crystals subjected... (Read more)

The effects of isochronal thermal treatments on three -irradiation-induced point defects, named the E, ODC(II), and H(I) centers, are investigated in various types of commercial silica (a-SiO₂). ODC(II) is investigated by means of photoluminescence spectroscopy,... (Read more)

We study proton diffusion in amorphous SiO₂ from the atomic scale to the long-range percolative regime. Ab initio molecular dynamics suggest that the dominant atomic process consists in cross-ring interoxygen hopping assisted by network vibrations. A statistical analysis accounting... (Read more)

Using deep level transient spectroscopy (DLTS), we have studied the energy position and thermal stability of deep levels in nitrogen doped 4H–SiC epitaxial layers after 1.2 MeV proton implantation and 15 MeV electron irradiation. Isochronal annealing was performed at temperatures from 100 to... (Read more)

Using ab initio density-functional total energy and molecular-dynamics simulations, we study the effects of various forms of nitrogen postdeposition anneal (PDA) on the electric properties of hafnia in the context of its application as a gate dielectric in field-effect transistors. We... (Read more)

The phenomenon of recombination-induced formation of hydrogen-defect complexes in epitaxial silicon carbide (SiC) was further investigated on p-type samples treated in deuterium plasma. Qualitatively similar effects were observed for hydrogen and deuterium. The formation of hydrogen-related... (Read more)

Negative bias temperature instability has become an important reliability concern for ultra-scaled Silicon IC technology with significant implications for both analog and digital circuit design. In this paper, we construct a comprehensive model for NBTI phenomena within the framework of the standard reaction–diffusion model. We demonstrate how to solve the reaction–diffusion equations in a way that emphasizes the physical aspects of the degradation process and allows easy generalization of the existing work. We also augment this basic reaction–diffusion model by including the temperature and field-dependence of the NBTI phenomena so that reliability projections can be made under arbitrary circuit operating conditions. (Read more)

Interface defects related to negative-bias temperature instability (NBTI) in an ultrathin plasma-nitrided SiON/ Si<100> system were characterized by using conductance–frequency measurements, electron-spin resonance measure- ments, and synchrotron radiation X-ray photoelectron spectroscopy. It was confirmed that NBTI is reduced by using D₂-annealing instead of the usual H₂-annealing. Interfacial Si dangling bonds (P_b1 and P_b0 centers) were detected in a sample subjected to negative-bias temperature stress (NBTS). Although we suggest that NBTS also generates non-Pb defects, it does not seem to generate nitrogen dangling bonds. These results show that NBTI of the plasma-nitrided SiON/Si system is predominantly due to P_b depassivation. Plasma nitridation was also found to increase the P_b1/P_b0 density ratio, modify the P_b1 defect structure, and increase the latent interface trap density by generating Si suboxides at the interface. These changes are likely to be the causes of NBTI in ultrathin plasma-nitrided SiON/Si systems. (Read more)

Calculations 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, C_Si... (Read more)

6H–SiC was etched with hydrogen at temperatures between 1000 and 1450°C. The etched Si-terminated face for the 6H-SiC wafer was investigated by atomic force microscopy and temperature-dependent current–voltage (I–V–T) measurements. Mechanical polishing... (Read more)

Epitaxial 4H-SiC n-type layers implanted at room temperature with a low fluence of mega-electron-volt protons have been measured by deep level transient spectroscopy (DLTS). The proton fluence of 1×10¹² cm^–2 creates an estimated initial concentration of... (Read more)

Local density functional calculations are used to investigate models of the center responsible for a prominent set of luminescent lines with zero-phonon lines around 3.15 eV in hydrogen rich 4H-SiC and previously attributed to V_Si-H. We find that the electronic structure of... (Read more)

The 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)

The nontrivial recombination-induced behavior of the well-known low-temperature photoluminescence of the hydrogen complex with a silicon vacancy (V_Si-H) has been previously reported by different authors. It was known to be limited to the metastable quenching and/or growth. In this... (Read more)

Hole burning in and displacements of the magnetic-resonance absorption line of the electron spin of the shallow hydrogen-related donor in ZnO are observed upon resonant irradiation with microwaves at 275 GHz and at 4.5 K in a magnetic field of 10 T. These effects arise from an almost complete... (Read more)

We report the identification of the vacancy-hydrogen complex in single crystal diamond synthesized by chemical vapor deposition. The S = 1 defect is observed by electron paramagnetic resonance in the negative charge state. The hydrogen atom is bonded to one of the carbon atoms neighboring the... (Read more)

The mechanism of hydrogen release from the anode Si/SiO₂ interface that triggers defect generation and finally the dielectric breakdown of the oxide in metal-oxide-semiconductor structures is investigated. Extensive experimental charge-to-breakdown statistics are used to derive the defect... (Read more)

Interface defects generated by negative-bias temperature stress (NBTS) in an ultrathin plasma- nitrided SiON/Si(100) system were characterized by using D₂ annealing, conductance-frequency measurements, and electron-spin resonance measurements. D₂ annealing was shown to lower... (Read more)

We present an overview of negative bias temperature instability (NBTI) commonly observed in p-channel metal–oxide–semiconductor field-effect transistors when stressed with negative gate voltages at elevated temperatures. We discuss the results of such stress on device and circuit... (Read more)

Hydrogen is well known to cause electrical passivation of lattice vacancies in semiconductors. This effect follows from the chemical passivation of the dangling bonds. Recently it was found that H in the carbon vacancy of SiC forms a three-center bond with two silicon neighbors in the vacancy, and... (Read more)

We report the identification of the nitrogen-vacancy-hydrogen complex in a freestanding nitrogen-doped isotopically engineered single crystal diamond synthesized by chemical vapor deposition. The hydrogen atom is located in the vacancy of a nearest-neighbor nitrogen-vacancy defect and appears to be... (Read more)

The thermal stability and annealing kinetics of a bistable defect, recently reported by Martin (Master Thesis, KTH/ELE/FTE/2003-1) employing deep level transient spectroscopy and labelled the M-centre, has been studied using n-type epitaxially grown 4H-SiC layers implanted with 2.5 MeV protons to a... (Read more)

Poly-Si/SiO₂/Si diodes in which oxides were grown thermally under wet oxidation conditions and subsequently treated by a post-oxidation anneal (POA) have been characterized electrically and chemically before and after applying negative-bias-temperature stress (NBTS). It was confirmed that... (Read more)

We report first-principles calculations showing that protons in the vicinity of a Si–SiO₂ interface can behave in two different ways. At an abrupt interface without suboxide bonds (Si–Si bonds at the oxide side of the interface) H⁺ does not become trapped but migrates... (Read more)

Electron paramagnetic resonance (EPR) and optically detected magnetic resonance (ODMR) experiments have been performed on a set of GaN epitaxial layers doped with Mg from 2.5?10¹⁸ to 5.0?10¹⁹ cm^-3. The samples were also characterized by secondary-ion-mass... (Read more)

The diffusion and reactions of hydrogenous species generated by single-pulsed F₂ laser photolysis of SiO-H bond in SiO₂ glass were studied in situ between 10 and 330 K. Experimental evidence indicates that atomic hydrogen (H⁰) becomes mobile even at temperatures as... (Read more)

Electron paramagnetic resonance and Hall measurements show consistently the presence of two donors ( D1 and D2) in state-of-the-art, nominally undoped ZnO single crystals. Using electron nuclear double resonance it is found that D1 shows hyperfine interaction with more than 50 shells of surrounding... (Read more)

We propose a network rebonding model for light-induced metastability in amorphous silicon, involving bonding rearrangements of silicon and hydrogen atoms. Nonradiative recombination breaks weak silicon bonds and generates dangling bond?floating bond pairs, with very low activation energies. The... (Read more)

We report first-principles calculations in terms of which we describe the role of hydrogen in passivating or activating oxygen complexes in Si. In particular we find that attaching H to a pre-existing oxygen cluster can change the electric activity of the cluster. Furthermore, the addition of a... (Read more)

Based on ab initio density-functional calculations in supercells of 3C-SiC, the stable configurations of hydrogen and dihydrogen defects have been established. The calculated formation energies are used to give semiquantitative estimates for the concentration of hydrogen in SiC after chemical vapor... (Read more)

Hydrogen is known to passivate Si dangling bonds at the Si-SiO ₂ interface, but the subsequent arrival of H ⁺ at the interface causes depassivation of Si-H bonds. Here we report first-principles density functional calculations, showing that, contrary to conventional... (Read more)

Formation of intrinsic and impurity defect complexes in hydrogenated monocrystalline silicon is studied. Hydrogen was incorporated into samples by different ways: either by proton implantation at 80 and 300 K, or by annealing at 1250°C for 30–60 min in a sealed quartz ampoule containing... (Read more)

Three centers that involve gold or platinum and hydrogen have been observed in n-type hydrogenated silicon by electron paramagnetic resonance. The first two centers, labeled Si-NL63 and Si-NL64, were detected in the gold-doped samples revealing hyperfine interaction with two gold atoms for the... (Read more)

A complex magnetic resonance study (EPR, electrically detected EPR, ENDOR) of hydrogen-related radiation-induced shallow donors in silicon has been performed. Three species of this donor family (D1–D3) were observed earlier by means of infrared absorption measurements in hydrogenated... (Read more)