Impurity complexes and conductivity of Ga-doped ZnO

Using hybrid functional theory together with experimental measurements, we investigate the influence of gallium impurities and their complexes on electrical properties of ZnO. In contrast to the behavior of isolated Ga impurities and native defects, the calculated formation energies of Ga complexes are consistent with our experimental data. We show that for high levels of Ga doping the acceptor behavior of GaZn-VZn and GaZn-Oi complexes explains the conductivity measurements and compensation levels in ZnO. The computed binding energies of these complexes are also consistent with the binding energies obtained from the measurements of the temperature dependence of carrier mobility. Our results show that the formation of defect complexes, often overlooked by theory, can be indispensable in capturing the defect physics

Dielectric functions and critical points of PbTiO3, PbZrO3, and PbZr0.57Ti0.43O3 grown on SrTiO3 substrate

Single crystalline PbTiO3, PbZrO3, and PbZr0.57Ti0.43O3 thin films on SrTiO3 (001) substrates were grown by a combination of molecular beam epitaxy and rf sputtering methods. The authors measured the dielectric functions of the thin films using spectroscopic ellipsometry and determined the interband critical point energies using standard critical point model. They compared the critical point energies to the band structure calculations in the literature. The data suggest that anticrossing behavior occurs between Ea and Eb near Zr=0.17. This phenomenon is attributed to a coupling between X1c and X3c bands caused by intrinsic alloy disorder

Microscopic distribution of extended defects and blockage of threading dislocations by stacking faults in semipolar (1101)(1101)()(1101)() GaN revealed from spatially resolved luminescence

Spatial distribution of extended defects in semipolar -oriented GaN layers grown on patterned(001) Si substrates with striped grooves of varying width was investigated by optical means only using near-field scanning optical microscopy (NSOM) and cathodoluminescence (CL). A high density of basal and prismatic stacking faults was observed in the c− wings, and the threadingdislocations in c+ wings, which appear as dark patterns in the NSOM and CL images, were found to bend toward the surface during the initial stages of growth. In the case when growingc+ front of GaN made contact with the SiO2 masking layer during growth, stacking faults were found to form also in the c+ wings. These additional stacking faults effectively blocked propagation of dislocations along the c+ direction, resulting in high quality stripes virtually free of defects. As revealed by optical means only without the need for any structural investigation, such control over the threading dislocation density using select growth geometries is potentially advantageous for improving semipolar GaN

Optical studies of strain and defect distribution in semipolar (1(1)over-bar01) GaN on patterned Si substrates

Formation of defects in semipolar ( 11¯01 )-oriented GaN layers grown by metal-organic chemical vapor deposition on patterned Si (001) substrates and their effects on optical properties were investigated by steady-state and time-resolved photoluminescence (PL) and spectrally and spatially resolved cathodoluminescence (CL). Near-band edge emission is found to be dominant in the c +-wings of semipolar ( 11¯01 )GaN, which are mainly free from defect-related emission lines, while the c – wings contain a large number of basal stacking faults. When the advancing c+ and c — fronts meet to coalesce into a continuous film, the existing stacking faults contained in c — wings continue to propagate in the direction perpendicular to the c-axis and, as a result, the region dominated by stacking fault emission is extended to the film surface.Additional stacking faults are observed within the c+ wings, where the growing c+ wings of GaN are in contact with the SiO2 masking layer. Out-diffusion of oxygen/silicon species and concentration of strain near the contact region are considered as possible causes of the stacking fault formation. CL linescans performed along the surface and across the thickness of the non-coalesced and coalesced layers revealed that, while most of the material in the near-surface region of the non-coalesced layers is relaxed, coalescence results in nonuniform strain distribution over the layer surface. Red-shifted near-band-edge emission from the near-surface region indicates tensile stress near the surface of a coalesced layer, reaching a value of 0.3 GPa. The regions near the GaN/AlN/Si(111) interface show slightly blue shifted, broadened near-band-edge emission, which is indicative of a high concentration of free carriers possibly due to incorporation of shallow-donor impurities (Si and/or O) from the substrate or SiO2 mask. Steady-state and time-resolved PL results indicate that semipolar ( 11¯01 )GaN on patterned Si exhibits optical properties (PL intensity and carrier lifetimes) approaching to those of the state-of-the-art c-plane GaN grown using in situ SiNx nanonetwork mask on c-plane sapphire. Long PL lifetimes (∼2 ns) for the ( 11¯01 )GaN layers show that the semipolar material holds promise for light emitting and detecting devices

Structural and electrical properties of Pb(Zr,Ti)O3 films grown by molecular beam epitaxy

Single-crystal, single-phase Pb(ZrxTi1−x)O3 films (x=0–0.4) were grown on (001)SrTiO3 and SrTiO3:Nb substrates by molecular beam epitaxy. Layer-by-layer growth of thePb(Zr,Ti)O3 films was achieved by using PbTiO3 buffer layers between the SrTiO3substrates and the Pb(Zr,Ti)O3 films. The layers with low Zr content showed high crystallinity with full width at half maximum of ω -rocking curves as low as 4arcmin , whereas increase in Zr concentration led to pronounced angular broadening. The PbZr0.07Ti0.93O3 filmsexhibited remanent polarization as high as 83μC/cm2 , but local areas suffered from nonuniform leakage current

Hexagonal-based pyramid void defects in GaN and InGaN

We report a void defect in gallium nitride (GaN) and InGaN, revealed by aberration-corrected scanning transmission electron microscopy (STEM). The voids are pyramids with symmetric hexagonal {0001} base facets and {101¯1} side facets. Each pyramid void has a dislocation at the peak of the pyramid, which continues up along the [0001] growth direction to the surface. Some of the dislocations are hexagonal open core screw dislocations with {101¯0} side facets, varying lateral widths, and varying degrees of hexagonal symmetry. STEM electron energy loss spectroscopy spectrum imaging showed a large C concentration inside the void and on the void surfaces. There is also a larger C concentration in the GaN (or InGaN) below the void than above the void. We propose that inadvertent carbon deposition during metal organic chemical vapor deposition growth acts as a mask, stopping the GaN deposition locally, which in combination with lateral overgrowth, creates a void. Subsequent layers of GaN deposited around the C covered region create the overhanging {101¯1} facets, and the meeting of the six {101¯1} facets at the pyramid’s peak is not perfect, resulting in a dislocation

Excitonic recombination dynamics in non-polar GaN/AlGaN quantum wells

The optical properties of GaN/Al0.15Ga0.85N multiple quantum wells are examined in 8 K–300 K temperature range. Both polarized CW and time resolved temperature-dependent photoluminescence experiment are performed so that we can deduce the relative contributions of the non-radiative and radiative recombination processes. From the calculation of the proportion of the excitonic population having wave vector in the light cone, we can deduce the variation of the radiative decay time with temperature. We find part of the excitonic population to be localized in concert with the report of Corfdir et al. (Jpn. J. Appl. Phys., Part 2 52, 08JC01 (2013)) in case of a-plane quantum wells