Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userSplit Ga vacancies and the unusually strong anisotropy of positron annihilation spectra in $boldsymbol{beta}$-Ga$_2$O$_3$
48
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
We report a systematic first principles study on positron annihilation parameters in the $beta$-Ga$_2$O$_3$ lattice and Ga mono-vacancy defects complemented with orientation-dependent experiments of the Doppler broadening of the positron-electron annihilation. We find that both the $beta$-Ga$_2$O$_3$ lattice and the considered defects exhibit unusually strong anisotropy in their Doppler broadening signals. This anisotropy is associated with low symmetry of the $beta$-Ga$_2$O$_3$ crystal structure that leads to unusual kind of one-dimensional confinement of positrons even in the delocalized state in the lattice. In particular, the split Ga vacancies recently observed by scanning transmission electron microscopy produce unusually anisotropic positron annihilation signals. We show that in experiments, the positron annihilation signals in $beta$-Ga$_2$O$_3$ samples seem to be often dominated by split Ga vacancies.
rate research
Read More
Based on first-principles calculations, we show that the maximum reachable concentration $x$ in the (Ga$_{1-x}$In$_x$)$_2$O$_3$ alloy in the low-$x$ regime (i.e. In solubility in $beta$-Ga$_2$O$_3$) is around 10%. We then calculate the band alignment at the (100) interface between $beta$-Ga$_2$O$_3$ and (Ga$_{1-x}$In$_x$)$_2$O$_3$ at 12%, the nearest computationally treatable concentration. The alignment is strongly strain-dependent: it is of type-B staggered when the alloy is epitaxial on Ga$_2$O$_3$, and type-A straddling in a free-standing superlattice. Our results suggest a limited range of applicability of low-In-content GaInO alloys.
$beta$-Ga$_2$O$_3$ is a promising ultra-wide bandgap semiconductor whose properties can be further enhanced by alloying with Al. Here, using atomic-resolution scanning transmission electron microscopy (STEM), we find the thermodynamically-unstable $gamma$-phase is a ubiquitous defect in both $beta$-(Al$_x$Ga$_{1text{-}x}$)$_2$O$_3$ films and doped $beta$-Ga$_2$O$_3$ films grown by molecular beam epitaxy. For undoped $beta$-(Al$_x$Ga$_{1text{-}x}$)$_2$O$_3$ films we observe $gamma$-phase inclusions between nucleating islands of the $beta$-phase at lower growth temperatures (~400-600 $^{circ}$C). In doped $beta$-Ga$_2$O$_3$, a thin layer of the $gamma$-phase is observed on the surfaces of films grown with a wide range of n-type dopants and dopant concentrations. The thickness of the $gamma$-phase layer was most strongly correlated with the growth temperature, peaking at about 600 $^{circ}$C. Ga interstitials are observed in $beta$-phase, especially near the interface with the $gamma$-phase. By imaging the same region of the surface of a Sn-doped $beta$-(Al$_x$Ga$_{1text{-}x}$)$_2$O$_3$ after ex-situ heating up to 400 $^{circ}$C, a $gamma$-phase region is observed to grow above the initial surface, accompanied by a decrease in Ga interstitials in the $beta$-phase. This suggests that the diffusion of Ga interstitials towards the surface is likely the mechanism for growth of the surface $gamma$-phase, and more generally that the more-open $gamma$-phase may offer diffusion pathways to be a kinetically-favored and early-forming phase in the growth of Ga$_2$O$_3$.
Recent breakthroughs in bulk crystal growth of the thermodynamically stable beta phase of gallium oxide ($beta$-Ga$_2$O$_3$) have led to the commercialization of large-area beta-Ga$_2$O$_3$ substrates with subsequent epitaxy on (010) substrates producing high-quality films. Still, metal-organic chemical vapor deposition (MOCVD), molecular beam epitaxy (MBE), and processing of the (010) $beta$-Ga$_2$O$_3$ surface are known to form sub-nanometer scale facets along the [001] direction as well as larger ridges with features perpendicular to the [001] direction. A density function theory calculation of the (010) surface shows an ordering of the surface as a sub-nanometer-scale feature along the [001] direction. Additionally, the general crystal structure of $beta$-Ga$_2$O$_3$ is presented and recommendations are presented for standardizing (010) substrates to account for and control the larger-scale ridge formation.
Point defects in crystalline materials often occur in multiple charge states. Although many experimental methods to study and explore point defects are available, techniques to explore the non-equilibrium dynamics of the charge states of these defects at ultrafast (sub-nanosecond) time scales have not been discussed before. We present results from ultrafast optical-pump supercontinuum-probe spectroscopy measurements on $beta$-Ga$_2$O$_3$. The study of point defects in $beta$-Ga$_2$O$_3$ is essential for its establishment as a material platform for high-power electronics and deep-UV optoelectronics. Use of a supercontinuum probe allows us to obtain the time-resolved absorption spectra of material defects under non-equilibrium conditions with picosecond time resolution. The probe absorption spectra shows defect absorption peaks at two energies, $sim$2.2 eV and $sim$1.63 eV, within the 1.3-2.5 eV probe energy bandwidth. The strength of the absorption associated with each peak is time-dependent and the spectral weight shifts from the lower energy peak to the higher energy peak with pump-probe delay. Further, maximum defect absorption is seen for probe polarized along the crystal c-axis. The time-dependent probe absorption spectra and the observed dynamics for all probe wavelengths at all pump-probe delays can be fit with a set of rate equations for a single multi-level defect. Based on first-principles calculations within hybrid density functional theory we attribute the observed absorption features to optical transitions from the valence band to different charge states of Gallium vacancies. Our results demonstrate that broadband ultrafast supercontinuum spectroscopy can be a useful tool to explore charge states of defects and defect dynamics in semiconductors.
We present a joint theoretical and experimental study on core-level excitations from the oxygen $K$ edge of $beta$-Ga$_2$O$_3$. A detailed analysis of the electronic structure reveals the importance of O-Ga hybridization effects in the conduction region. The spectrum from O 1$s$ core electrons is dominated by excitonic effects, which overall redshift the absorption onset by 0.5 eV, and significantly redistribute the intensity to lower energies. Analysis of the spectra obtained within many-body perturbation theory reveals atomic fingerprints of the inequivalent O atoms. From the comparison of energy-loss near-edge fine-structure (ELNES) spectra computed with respect to different crystal planes, with measurements recorded under the corresponding diffraction conditions, we show how the spectral contributions of specific O atoms can be enhanced while quenching others. These results suggest ELNES, combined with ab initio many-body theory, as a very powerful technique to characterize complex systems, with sensitivity to individual atomic species and to their local environment.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
