Papers by Author: Nguyen Tien Son

Abstract: In this work, quenching effect in the photoluminescence (PL) spectrum of divacancy defects in 4H SiC is investigated. Quenching in PL occurs when photoexcitation with an energy below a certain threshold is applied. In order to understand this phenomenon, we carried out Kohn-Sham density functional theory (DFT) calculations. In accordance with recent experimental results, we propose a physical model which explains the quenching phenomenon.

Abstract: Point defects in wide band gap semiconductors have recently shown outstanding potential for implementing room temperature quantum bits and single photon emitters. These atomic scale tools can be used in various quantum information processing, sensing, and imaging applications. Silicon vacancy related photoluminescence centers in 4H, 6H, and 15R-SiC are among the most studied quantum bits that possess a particular spin-3/2 ground and excited state. The microscopic structures of these defects have been recently identified as isolated negatively charged silicon vacancy defects at the symmetrically non-equivalent silicon sites in SiC. Relying on this identification, here we carry out high precision ab initio simulations on negatively charged silicon vacancies in 4H and 6H-SiC and calculate the most important magneto-optical data, such as the zero-phonon photoluminescence energies, the zero-field-splitting, and the hyperfine tensors for the nearest and farther nuclear spins.

Abstract: In freestanding n-type 4H-SiC epilayers irradiated with low-energy (250 keV) electrons at room temperature, the electron paramagnetic resonance (EPR) spectrum of the negative carbon vacancy at the hexagonal site, VC- (h), and a new signal were observed. From the similarity in defect formation and the spin-Hamiltonian parameters of the two defects, the new center is suggested to be the negative C vacancy at the quasi-cubic site, VC- (k). The identification is further supported by hyperfine calculations.

Abstract: The optical properties of isotope-pure ²⁸Si¹²C, natural SiC and enriched with ¹³C isotope samples of the 4H polytype are studied by means of Raman and photoluminescence spectroscopies. The phonon energies of the Raman active phonons at the Γ point and the phonons at the M point of the Brillouin zone are experimentally determined. The excitonic bandgaps of the samples are accurately derived using tunable laser excitation and the phonon energies obtained from the photoluminescence spectra. Qualitative comparison with previously reported results on isotope-manipulated Si is presented.

Abstract: A set of lines in the photoluminescence spectra of 4H-, 6H-, and 15R-SiC in the near-infrared are attributed to Nb-related defects on the ground of doping experiments conducted with 4H-SiC. A model based on a an exciton bound at the Nb-centre in an asymmetric split vacancy configuration at a hexagonal site is proposed, which explains the structure of the luminescence spectrum and the observed Zeeman splitting of the lines.

Abstract: In unintentionally Nb-doped 4H-SiC grown by high-temperature chemical vapor deposition (HTCVD), an electron paramagnetic resonance (EPR) center with C_1h symmetry and an electron spin S=1/2 was observed. The spectrum shows a hyperfine structure consisting of ten equal-intensity hyperfine (hf) lines which is identified as due to the hf interaction between the electron spin and the nuclear spin of ⁹³Nb. An additional hf structure due to the interaction with two equivalent Si neighbors was also observed. Ab initio supercell calculations of Nb in 4H-SiC suggest that Nb may form complex with a C-vacancy (V_C) resulting in an asymmetric split-vacancy (ASV) defect, Nb_Si-V_C. Combining results from EPR and supercell calculations, we assign the observed Nb-related EPR center to the hexagonal-hexagonal configuration of the AVS defect in the neutral charge state, (Nb_Si-V_C)⁰.

Abstract: Relatively little is known about the transition metal defects in silicon carbide (SiC). In this study we applied highly convergent and sophisticated density functional theory (DFT) based methods to investigate important transition metal impurities including titanium (Ti), vanadium (V), niobium (Nb), chromium (Cr), molybdenum (Mo) and tungsten (W) in cubic 3C and hexagonal 4H and 6H polytypes of SiC. We found two classes among the considered transition metal impurities: Ti, V and Cr clearly prefer the Si-substituting configuration while W, Nb, and Mo may fractionally form a complex with carbon vacancy in hexagonal SiC even under thermal equilibrium. If the metal impurity is implanted into SiC or when many carbon impurities exist during the growth of SiC then complex formation between Si-substituting metal impurity and the carbon vacancy should be considered. This complex pair configuration exclusively prefers the hexagonal-hexagonal sites in hexagonal polytypes and may be absent in cubic polytype. We also studied transition metal doped nano 3C-SiC crystals in order to check the effect of the crystal field on the d-orbitals of the metal impurity.

Abstract: A commonly observed unidentified photoluminescence center in SiC is UD-1. In this report, the UD-1 center is identified to be tungsten related. The identification is based on (i) a W-doping study, the confirmation of W in the samples was made using deep level transient spectroscopy (DLTS), (ii) the optical activation energy of the absorption of UD-1 in weakly n-type samples corresponds to the activation energy of the deep tungsten center observed using DLTS. The tungsten-related optical centers are reported in 4H-, 6H-, and 15R-SiC. Further, a crystal field model for a tungsten atom occupying a Si-site is suggested. This crystal field model is in agreement with the experimental data available: polarization, temperature dependence and magnetic field splitting.

Abstract: Electron paramagnetic resonance (EPR) was used to study high-purity semi-insulating 4H-SiC irradiated with 2 MeV electrons at room temperature. The EPR signal of the EI4 defect was found to be dominating in samples irradiated and annealed at ~750°C. Additional large-splitting 29Si hyperfine (hf) lines and also other 13C and 29Si hf structures were observed. Based on the observed hf structures and annealing behaviour, the complex between a negative carbon vacancy-carbon antisite pair (VCCSi–) and a distance positive carbon vacancy ( ) is tentatively proposed as a possible model for the EI4 defect.

Abstract: We investigate the neutral divacancy in SiC by means of first principles calculations and group theory analysis. We identify the nature of the PL transitions associated with this defect. We show that how the spin state may be manipulated optically in this defect.