Fingerprints of carbon defects in vibrational spectra of gallium nitride (GaN) consider-ing the isotope effect

This work examines the carbon defects associated with recently reported and novel peaks of infrared (IR) absorption and Raman scattering appearing in GaN crystals at carbon ($^{12}C$) doping in the range of concentrations from $3.2*10^{17}$ to $3.5*10^{19} cm^{-3}$. 14 unique vibrational modes of defects are observed in GaN samples grown by hydride vapor phase epitaxy (HVPE) and then compared with defect properties predicted from first-principles calculations. The vibrational frequency shift in two $^{13}C$ enriched samples related to the effect of the isotope mass indicates six distinct configurations of the carbon-containing point defects. The effect of the isotope replacement is well reproduced by the density functional theory (DFT) calculations. Specific attention is paid to the most pronounced defects, namely tri-carbon complexes($C_N=C=C_N$) and carbon substituting for nitrogen $C_N$. The position of the transition level (+/0) in the bandgap found for $C_N=C=C_N$ defects by DFT at 1.1 eV above the valence band maximum, suggest that $(C_N=C=C_N)^+$ provides compensation of ${C_N}^-$. $C_N=C=C_N$ defects are observed to be prominent, yet have high formation energies in DFT calculations. Regarding ${C_N}$ defects, it is shown that the host Ga and N atoms are involved in the defect's delocalized vibrations and significantly affect the isotopic frequency shift. Much more faint vibrational modes are found from di-atomic carbon-carbon and carbon-hydrogen (C-H) complexes. Also, we note changes of vibrational mode intensities of $C_N$, $C_N=C=C_N$, C-H, and $C_N-C_i$ defects in the IR absorption spectra upon irradiation in the defect-related UV/visible absorption range. Finally, it is demonstrated that the resonant enhancement of the Raman process in the range of defect absorption above 2.5 eV enables the detection of defects at carbon doping concentrations as low as $3.2*10^{17} cm^{-3}$

AlN overgrowth of nano-pillar-patterned sapphire with different offcut angle by metalorganic vapor phase epitaxy

We present overgrowth of nano-patterned sapphire with different offcut angles by metalorganic vapor phase epitaxy. Hexagonal arrays of nano-pillars were prepared via Displacement Talbot Lithography and dry-etching. 6.6 µm crack-free and fully coalesced AlN was grown on such substrates. Extended defect analysis comparing X-ray diffraction, electron channeling contrast imaging and selective defect etching revealed a threading dislocation density of about 109 cm-2. However, for c-plane sapphire offcut of 0.2° towards m direction the AlN surface shows step bunches with a height of 10 nm. The detrimental impact of these step bunches on subsequently grown AlGaN multi-quantum-wells is investigated by cathodoluminescence and transmission electron microscopy. By reducing the sapphire offcut to 0.1° the formation of step bunches is successfully suppressed. On top of such a sample an AlGaN-based UVC LED heterostructure is realized emitting at 265 nm and showing an emission power of 0.81 mW at 20 mA (corresponds to an external quantum efficiency of 0.86 %)

Shallow donor and DX states of Si in AlN

In unintentionally Si-doped AlN, the electron paramagnetic resonance (EPR) spectrum of the Si shallow donor (g=1.9905) was observed in darkness at room temperature. The temperature dependence of the EPR signal suggests that Si in AlN is a DX center with the DX- state lying at similar to 78 meV below the neutral shallow donor state. With such relatively small thermal activation energy, Si is expected to behave as a shallow dopant in AlN at normal device operating temperatures.Original Publication:Nguyen Son Tien, M Bickermann and Erik Janzén, Shallow donor and DX states of Si in AlN, 2011, APPLIED PHYSICS LETTERS, (98), 9, 092104.http://dx.doi.org/10.1063/1.3559914Copyright: American Institute of Physicshttp://www.aip.org

Defects at nitrogen site in electron-irradiated AlN

In high resistance AlN irradiated with 2 MeV electrons, an electron paramagnetic resonance (EPR) spectrum, labeled EI-1, with an electron spin S = 1/2 and a clear hyperfine (hf) structure was observed. The hf structure was shown to be due the interaction between the electron spin and the nuclear spins of four 27A nuclei with the hf splitting varying between ∼ 6.0 and ∼ 7.2 mT. Comparing the hf data obtained from EPR and ab initio supercell calculations we suggest the EI-1 defect to be the best candidate for the neutral nitrogen vacancy in AlN