Vacancy Defects in Ga2O3: First-Principles Calculations of Electronic Structure

First-principles density functional theory (DFT) is employed to study the electronic structure of oxygen and gallium vacancies in monoclinic bulk β-Ga2O3 crystals. Hybrid exchange–correlation functional B3LYP within the density functional theory and supercell approach were successfully used to simulate isolated point defects in β-Ga2O3. Based on the results of our calculations, we predict that an oxygen vacancy in β-Ga2O3 is a deep donor defect which cannot be an effective source of electrons and, thus, is not responsible for n-type conductivity in β-Ga2O3. On the other hand, all types of charge states of gallium vacancies are sufficiently deep acceptors with transition levels more than 1.5 eV above the valence band of the crystal. Due to high formation energy of above 10 eV, they cannot be considered as a source of p-type conductivity in β-Ga2O3.

Impact of Surface States and Aluminum Mole Fraction on Surface Potential and 2DEG in AlGaN/GaN HEMTs

The presence of surface traps is an important phenomenon in AlGaN/GaN HEMT. The electrical and physical properties of these surface traps have been analyzed through the study of 2DEG electron concentration along with the variation of aluminum percentage in the barrier layer of HEMT. This analysis shows that from deep to shallow donors, the percentage change in electron density in 2DEG gets saturated (near 8%) with change in aluminum concentration. The depth of the quantum potential well below the Fermi level is also analyzed and is found to get saturated (near 2%) with aluminum percentage when surface donor states energy changes to deep from shallow. The physics behind this collective effect is also analyzed through band diagram too. The effect of surface donor traps on the surface potential also has been discussed in detail. These surface states are modeled as donor states. Deep donor (EC − ED = 1.4 eV) to shallow donor (EC − ED = 0.2 eV) surface traps are thoroughly studied for the donor concentration of 1011 to 1016 cm−2. This study involves an aluminum concentration variation from 5 to 50%. This paper for the first time presents the comprehensive TCAD study of surface donor and analysis of electron concentration in the channel and 2DEG formation at AlGaN–GaN interface.

Ab-Initio Calculations of Oxygen Vacancy in Ga2O3 Crystals

Gallium oxide β-Ga2O3 is an important wide-band gap semiconductor. In this study, we have calculated the formation energy and transition levels of oxygen vacancies in β-Ga2O3 crystal using the B3LYP hybrid exchange-correlation functional within the LCAO-DFT approach. The obtained electronic charge redistribution in perfect Ga2O3 shows notable covalency of the Ga-O bonds. The formation of the neutral oxygen vacancy in β-Ga2O3 leads to the presence of deep donor defects with quite low concentration. This is a clear reason why oxygen vacancies can be hardly responsible for n-type conductivity in β-Ga2O3.

Оптические сечения поглощения и силы осцилляторов двойного донора магния в кремнии

The optical properties of magnesium impurity in silicon, whose atoms at interstitial positions in the lattice are deep double donors with an ionization energy of 107.56 meV in the neutral state, were studied. For optical transitions from the ground state of a neutral center to the excited levels 2p0 and 2p, the absorption cross sections and oscillator strengths were determined. These parameters were calculated from the impurity absorption spectra that were measured at T  K in samples with different magnesium concentrations. The deep donor content in the samples was determined using Hall effect measurements in the temperature range 78–300 K. The obtained characteristics of intracenter transitions in magnesium were compared with the corresponding literature data for shallow Group V donors in silicon, which are substitutional impurities. It was found that the optical characteristics of the investigated transitions in magnesium are consistent with the dependences of the corresponding parameters on the ionization energy for shallow donors, extrapolated to the region of larger electron binding energies.

Влияние барьерных контактов на транспорт носителей заряда в однородных структурах из GaAs, легированных глубокими центрами Cr и EL2

The results of studying the transport of charge carriers in GaAs structures doped with deep donor EL2 centers and acceptor levels of Cr for detectors of ionizing radiation and ultrafast photoelectric switches are presented. Three configurations of structures are investigated: p-i-n, n-i-n and p-i-p- types. The system of differential equations for the temperature of charge carriers, Poisson's equations and continuity was solved using a commercial software. It was found that the choice of the type of the barrier layer makes it possible to control the uniformity of the electric field strength in the structures. It is shown that p-i-p- type structures have the best uniformity of the electric field strength.