We 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)

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 authors present the results of electrically detected magnetic resonance (EDMR) experiments on ion-implanted Si:P nanostructures at 5 K, consisting of high-dose implanted metallic leads with a square gap, in which phosphorus is implanted at a nonmetallic dose corresponding to 10¹⁷ ... (Read more)

The low field Hall mobility of electron in diamond was investigated from room temperature to 873 K, both experimentally and theoretically. The acoustic deformation potential for electron scattering is determined by fitting of theoretical calculations to experimental data for high quality {111}... (Read more)

We report low-frequency charge noise measurement on silicon substrates with different phosphorus doping densities. The measurements are performed with aluminum single electron transistors (SETs) at millikelvin temperatures where the substrates are in the insulating regime. By measuring the SET... (Read more)

In this work, we have studied the changes in the optical properties on crystalline silicon implanted wafers (1×10¹³–1×10¹⁶ P⁺/cm²) using an extensive ellipsometric analysis. The effects of implantation energy (20–180 KeV) and... (Read more)

We investigate transport in phosphorus-doped buried-channel metal-oxide-semiconductor field-effect transistors at temperatures between 10 and 295 K. We focus on transistors with phosphorus donor concentrations higher than those previously studied, where we expect conduction to rely on donor... (Read more)

Gradient-corrected density-functional calculations are used to determine the structure, stability, and diffusion of arsenic-interstitial and phosphorus-interstitial pairs in the positive, neutral, and negative charge states. For both cases, our calculations show that the neutral pair will be... (Read more)

The 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)

Two-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)

We compute within the effective-mass theory and without adjustable parameters the Stark effect for shallow P donors in Si with anisotropic band structure. Valley-orbit coupling is taken into account in a nonperturbative way and scattering effects of the impurity core are included to properly... (Read more)

First-principles calculations are presented for the phosphorus vacancy V_P in ZnGeP₂, using full-potential linearized muffin-tin orbital supercell local density functional theory calculations. We find the V_P to have a high energy of formation compared to... (Read more)

Continuous-wave (cw) electron paramagnetic resonance (EPR) at both X-band and W-band frequencies, pulsed-EPR, and pulsed electron nuclear double resonance (ENDOR) were used to study phosphorus shallow donors in 3C-, 4H-, and 6H-SiC doped with phosphorus (P) during... (Read more)

We resolve the remarkably sharp bound exciton transitions of highly enriched ²⁸Si using a single-frequency laser and photoluminescence excitation spectroscopy, as well as photocurrent spectroscopy. Well-resolved doublets in the spectrum of the ³¹P donor reflect the hyperfine... (Read more)

We propose a new method for calculating optical defect levels and thermodynamic charge-transition levels of point defects in semiconductors, which includes quasiparticle corrections to the Kohn-Sham eigenvalues of density-functional theory. Its applicability is demonstrated for anion vacancies at... (Read more)

The hyperfine interaction of phosphorus donors in fully strained Si thin films grown on virtual Si_1-xGe_x substrates with x0.3 is determined via electrically detected magnetic resonance. For highly strained epilayers, hyperfine interactions as low as 0.8 mT... (Read more)

Phosphorus shallow donors having the symmetry lower than Td are studied by pulsed EPR. In diamond:P and 3C–SiC:P, the symmetry is lowered to D2d and the density of the donor wave function on the phosphorus atom exhibits a predominant p-character. In 4H–SiC:P with the site symmetry of... (Read more)

Ab initio supercell calculations have been carried out to investigate the doping of phosphorus in chemical-vapor-deposited (CVD) silicon carbide (SiC) layers. We simulated the CVD conditions by using the appropriate chemical potentials for hydrogen and phosphorus (P). We find that the site... (Read more)

Combining efficient density-functional based tight-binding molecular dynamics with ab initio calculations, we show that despite higher formation energies the incorporation of phosphorus at the carbon sublattice is favored by kinetic effects during the annealing processes. Based on the... (Read more)

Using positron annihilation measurements we observed the formation of thermal vacancies in highly As and P doped Si. The vacancies start to form at temperatures as low as 650 K and are mainly undecorated at high temperatures. Upon cooling the vacancies form stable vacancy-impurity complexes such as... (Read more)

Phosphorus ion implantations of 6H-SiC in the mean phosphorus concentration of the implanted layer of 1 × 1018 cm−3 were performed both at multi-fold energy between 9 and 21 MeV and at 340 keV. In the high-energy implantations at room temperature, 400, 800 and 1200 °C and in the 340... (Read more)

Spin-lattice relaxation time (T₁) and phase memory time (T_M) of shallow donors in 3C-, 4H- and 6H-SiC have been measured in time domain by using pulsed EPR technique. The temperature dependence of T₁ suggests that the Orbach process should be frozen at relatively high temperatures. Shallow donors in SiC are promising in attaining a sufficiently long phase memory time at temperatures much higher than Si:P. (Read more)

Previous 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)

Experimental studies of size-related effects in silicon nanocrystals are reported. We present investigations carried out on nanocrystals prepared from single-crystal Si:P wafer by ball milling. The average final grain dimension varied depending on the way of preparation in the range between 70 and... (Read more)

Comparisons are made between the carrier concentrations, ionization energies, and electron mobilities in 4H–SiC samples implanted with similar doses of nitrogen or phosphorus and annealed at 1300 or 1700 °C for 10 min in argon. The objective of the research is to determine which element may... (Read more)

Manganese centers were investigated in silicon specimens with initial doping concentrations between 1.5?10¹⁵ P cm^-3 and 6?10¹⁵ B cm^-3. All known Mn centers could be observed but the cluster Mn_i3Mn_i was missing in highly-boron-doped... (Read more)

Two phosphorus centers in SiC, an isolated P atom substituting for Si (P_Si) and a Si-site P-atom adjacent to a carbon vacancy (P_Si+V_C) are investigated by first principle calculations. It is shown that P_Si+V_C produces a singly occupied donor... (Read more)

Electron paramagnetic resonance (EPR) measurements of Si/SiO₂ systems began over 30 years ago. Most EPR studies of Si/SiO₂ systems have dealt with two families of defects: P_b centers and E centers. Several variants from each group have... (Read more)

Nitrogen donors in 6H-, 4H- and 3C-SiC were investigated using conventional electron paramagnetic resonance (EPR) and electron nuclear double resonance (ENDOR) and the experimental results are discussed. An attempt is presented to interpret the experimentally found large differences in hyperfine... (Read more)

Investigations 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)

A total of five new electron paramagnetic resonance (EPR) centers are observed in electron-irradiated P-, As-, and Sb-doped silicon. Three are identified as arising from the neutral charge state of the stable configuration and two of the four metastable configurations of an... (Read more)

We have performed the first-principles total-energy calculations on the atomic diffusion of group-V impurities in Si, and have revealed the pressure effect on the activation energy of the diffusion. For the vacancy mechanism, the activation energies for P, As, and Sb decrease with pressure. For the... (Read more)

We have evaluated hydrogen and deuterium diffusivities in silicon below room temperature (220–270 K) by analyzing the kinetics of photoinduced dissociation of a chemical etching introduced hydrogen (deuterium)–carbon complex. Under sufficiently strong illumination, the annihilation rate... (Read more)

It is demonstrated that hydrogen can migrate in silicon as a negatively charged species (H^-). The evidence is the combined observation of a strong electric-field dependence in the rate of removal of PH complexes during bias-temperature stress of hydrogenated Schottky-barrier diodes and... (Read more)

Experimental results are presented which identify the following chemical reaction as being responsible for compensation of shallow-acceptor impurities when single-crystal silicon is exposed to monatomic hydrogen: A^-+h⁺+H⁰↔(AH)⁰, where A^-... (Read more)

The dynamic process due to electron jumping among three states with different sp hybrid directions in the quasitetrahedral P⁴⁺ center [PO₄]⁰ in a-quartz has been investigated by 10-GHz electron paramagnetic resonance, over the temperature range 40 to 400 K. The relative populations (mole fractions ƒ_І and ƒ_ІІ) of the ground state P(І) and two degenerate thermally excited states P(ІІ) were determined from the measured EPR absorption line intensity ratios and from the line positions of the averaged state P(A), respectively, in the slow and fast kinetic regions. The temperature dependence of the mole fractions has been explained by considering vibrational sublevels in the potential well describing each state. The jump rate was also obtained, via EPR absorption line-width analysis based on the Bloch equations, in both the slow and the fast regions. The characteristic parameters of the dynamic process, Le., energy separation and vibrational sublevels of the ground and excited states, and barrier height between these, have been determined. (Read more)

A review is given on the diffusion, solubility and electrical activity of 3d transition metals in silicon. Transition elements (especially, Cr, Mn, Fe, Co, Ni, and Cu) diffuse interstitially and stay in the interstitial site in thermal equilibrium at the diffusion temperature. The parameters of the liquidus curves are identical for the Si:Ti — Si:Ni melts, indicating comparable silicon-metal interaction for all these elements. Only Cr, Mn, and Fe could be identified in undisturbed interstitial sites after quenching, the others precipitated or formed complexes. The 3d elements can be divided into two groups according to the respective enthalpy of formation of the solid solution. The distinction can arise from different charge states of these impurities at the diffusion temperature. For the interstitial 3d atoms remaining after quenching, reliable energy levels are established from the literature and compared with recent calculations. (Read more)

Dynamic averaging due to electron jumping among three states with different sp hybrid directions in the P⁴⁺ center [PO₄]⁰ in α-quartz has been studied by single-crystal electron paramagnetic resonance. The spin-Hamiltonian matrices g and A_slp for low temperature (i.e., C140 K) spectra P(І) and P(Ⅱ) and for high temperature spectrum P(A) are reported. For each crystal site, the line positions of P(A) agree well with those derived from the matrices measured for the three states. i.e., with weighted averages including P(І) and the two symmetry-related P(Ⅱ) spectra. (Read more)

The ESR-induced changes in the dc resistance, /||_ESR, of P-ion-implanted silicon have been observed for the first time. The transfer of absorbed Zeeman energy at liquid-He temperature has been investigated. The /||_ESR signals observed were a narrow line with a g value of... (Read more)

EPR studies of silicon irradiated at 20.4 K and 4.2 K by 1.5 MeV and 46 MeV electrons are described. In 46 MeV irradiations the dominant defects formed appear to be divavancies and other multiple defect aggregates which liberate vacancies throughout the anneal to room temperature as they reorder, recombine, etc. For 1.5 MeV irradiations group III atoms play a vital role in p- and n-type materials in trapping interstitials and stabilizing damage. Carbon and oxygen are not effective interstitial traps at these temperatures. Evidence of limited vacancy migration during irradiation is also cited. Two distinct excited configurations of vacancy-oxygen pairs are identified as precursors to A-centre formation in n-type silicon. The kinetics for their conversion to A-centres depends strongly upon the Fermi level as does the isolated vacancy migration energy whhich is measured to be 0.18 ± 0.02 eV for the V^＝ charge state. The vacancy has four charge states, V^＋, V⁰, V^－ and V^＝. Kinetics for hole release from V^＋ reveals an activation barrier of 0.057 eV. The concentration of V^＋ at 20.4 K in boron-doped material indicates the corresponding donor level even closer to the band edge, approximately E_V ＋ 0.039 eV. Jahn-Teller energies for V⁰, V^＋, and V^－ are estimated from stress-alignment studies and confirmed to be large. Kinetics studies for reorientation from one Jahn-Teller distortion to another are also described for each charge state.

The hyperfine interactions of Si²⁹ lattice nuclei with ground-state donor electrons in arsenic-, phosphorus-, and antimony-doped silicon have been measured by electron-nuclear double resonance (ENDOR). Hyperfine constants are reported for each donor for about 20 shells containing a total... (Read more)

Effects of exchange and motion on electron spin resonance spectrum of phosphorus doped Si with concentration of 3×10¹⁶cm^-3～3×10¹⁹cm^-3 were investigated at liquid helium temperatures and at about 9300 Mc/sec. At lower concentrations, the intensity of... (Read more)

At liquid helium temperatures, spin resonance of localized donor electrons has been observed in phorphorus-, arsenic-, and bismuth-doped germanium. The presence of hyperfine splitting confirms the singlet as the ground state for all three. The separation of the excited triplet states has been... (Read more)

The excited states of the antimony, phosphorus, and arsenic impurities in silicon have been investigated by subjecting samples to a uniaxial stress and observing the change in the electron spin resonance spectrum. The experiments were performed at 1.25?K and ?9000 Mc/sec on silicon samples subjected... (Read more)

The different relaxation processes that connect the four energy levels in phosphorus doped silicon have been investigated experimentally. The relaxation time T_s (?m_s=?1, ?m_I=0) was found to be independent of phosphorus concentration below ?10¹⁶... (Read more)

The spin and magnetic moment of 14-day P³² with dtermined by the electron unclear double resonance (ENDOR) technique.The P³² obtained from Oak Ridge was diffused into high-resistivity silicon plates having a total volume of 0.25 cm³. (Read more)

I. 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)

The double-frequency resonance method reported recently in connection with a unclear polarization schemehas been extended to observe unclear transitions and thereby determine hyperfine interactions and unclear g values. (Read more)

In the preceding Letter a scheme for polarizing unclei was described.This letter deals with the experimental verificationof the scheme. (Read more)

By using the recently measured effective masses for n-type Si, m₁=0.98 m and m₂=0.19 m, approximate solutions of the resulting effective mass Schroedinger equation are obtained. The accuracy of the solutions was tested in the limiting cases where... (Read more)