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58 records · Page 4

GaN-Based Detector Enabling Technology for Next Generation Ultraviolet Planetary Missions

The ternary alloy AlN-GaN-InN system provides several distinct advantages for the development of UV detectors for future planetary missions. First, (InN), (GaN) and (AlN) have direct bandgaps 0.8, 3.4 and 6.2 eV, respectively, with corresponding wavelength cutoffs of 1550 nm, 365 nm and 200 nm. Since they are miscible with each other, these nitrides form complete series of indium gallium nitride (In(sub l-x)Ga(sub x)N) and aluminum gallium nitride (Al(sub l-x)Ga(sub x)N) alloys thus allowing the development of detectors with a wavelength cut-off anywhere in this range. For the 2S0-365 nm spectral wavelength range AlGaN detectors can be designed to give a 1000x solar radiation rejection at cut-off wavelength of 325 nm, than can be achieved with Si based detectors. For tailored wavelength cut-offs in the 365-4S0 nm range, InGaN based detectors can be fabricated, which still give 20-40x better solar radiation rejection than Si based detectors. This reduced need for blocking filters greatly increases the Detective Quantum efficiency (DQE) and simplifies the instrument's optical systems. Second, the wide direct bandgap reduces the thermally generated dark current to levels allowing many observations to be performed at room temperature. Third, compared to narrow bandgap materials, wide bandgap semiconductors are significantly more radiation tolerant. Finally, with the use of an (AI, In)GaN array, the overall system cost is reduced by eliminating stringent Si CCD cooling systems. Compared to silicon, GaN based detectors have superior QE based on a direct bandgap and longer absorption lengths in the UV.

Aslam, S.↗

Computational Insights into Phase Equilibria Between Wide-Gap Semiconductors and Contact Materials

Novel wide-band-gap semiconductors are needed for next-generation power electronics, but there is a gap between a promising material and a functional device. Finding stable (metal) contacts is one of the major challenges that is currently dealt with mainly via trial and error. Herein, we computationally investigate the thermochemistry and phase coexistence at the junction between three wide-gap semiconductors, ..beta..-Ga2O3, GeO2, and GaN, and possible contact materials. The pool of possible contacts includes 47 elemental metals and a set of 4 common, n-type transparent conducting oxides (ZnO, TiO2, SnO2, and In2O3). We use first-principles thermodynamics to model the Gibbs free energies of chemical reactions as a function of gas pressure (pO2/pN2) and equilibrium temperature. We deduce whether a semiconductor/contact interface will be stable at relevant conditions or a chemical reaction between them is to be expected, possibly influencing the long-term reliability and performance of devices. We generally find that most elemental metals tend to oxidize or nitridize and form various interface oxide/nitride layers. Exceptions include select late- and post-transition metals and, in the case of GaN, also the alkali metals, which are predicted to exhibit stable coexistence, although in many cases at relatively low gas partial pressures. Similar is true for the transparent conducting oxides, for which, in most cases, we predict a preference toward forming ternary oxides when in contact with ..beta..-Ga2O3 and GeO2. The only exception is SnO2, which we find to form stable contacts with both oxides. Finally, we show how the same approach can be used to predict gas partial pressure vs temperature phase diagrams to help direct synthesis of ternary compounds. We believe these results provide a valuable guidance in selecting contact materials to wide-gap semiconductors and suitable growth conditions.

contact materials↗

A theoretical investigation of the effect of Ga alloying on thermodynamic stability, electronic-structure, and oxidation resistance of Ti 2 AlC MAX phase

We present a systematic investigation of thermodynamic stability, phase-reaction, and chemical activity of Al containing disordered Ti 2 (Al-Ga)C MAX phases using machine-learning driven high-throughput framework to understand the oxidation resistance behavior with increasing temperature and exposure to static oxygen. The A-site (at Al) disordering of Ti 2 AlC with Ga shows significant change in the chemical activity of Al with increasing temperature and exposure to static oxygen, which is expected to enable surface segregation of Al, thereby, the formation of Al 2 O 3 and improved oxidation resistance. We performed in-depth convex hull analysis of ternary Ti-Al-C, Ti-Ga-C, and Ti-Al-Ga-C based MAX phase, and provide detailed contribution arising from electronic, chemical and vibrational entropies. The thermodynamic analysis shows change in the Gibbs formation enthalpy (ΔG form ) at higher temperatures, which implies an interplay of temperature-dependent enthalpy and entropic contributions in oxidation resistance Ga doped Ti 2 AlC MAX phases. A detailed electronic structure and chemical bonding analysis using crystal orbital Hamilton population method reveal the origin of change in phases stability and in oxidation resistance in disorder Ti2(Al 1-x Ga x )C MAX phases. Our electronic structure analysis correlate well with the change in oxidation resistance of Ga doped MAX phases. We believe our study provides a useful guideline to understand to role of alloying on electronic, thermodynamic, and oxidation related mechanisms of bulk MAX phases, which can work as a precursor to understand oxidation behavior of twodimensional MAX phases, i.e., MXenes (transition metal carbides, carbonitrides and nitrides).

36 MATERIALS SCIENCE↗

Comparing the influence of cation order and composition in simulated Zn(Sn, Ge)N 2 on structure, elastic moduli, and polarization for solid state lighting

Alloying and site ordering play complementary roles in dictating a material’s properties. However, deconvolving the impacts of these separate phenomena can be challenging. In this work, we simulate structures of Zn(Sn,Ge)N 2 with varied Sn content and site ordering to determine the impacts of order and composition on structural and electronic properties. We assess the formation enthalpy, lattice parameters, elastic constants, spontaneous polarization, and piezoelectric coefficients. In mostly disordered structures (order parameters ranging from 0.2 to 0.4), the formation enthalpy exhibits local extrema as a function of the order parameter, deviating from the more linear trends seen in both fully disordered and fully ordered systems. This anomalous deviation from the otherwise linear trend in formation enthalpy with order manifests in each of the other properties calculated. This range of order parameters of interest may be caused by a transition in the ordering of the quaternary material similar to phase changes seen in ternary compounds but stretched over a region inclduing 20% of the order parameter range. Most parameters calculated are more sensitive to order than to composition in the limited composition range tested; however, the lattice parameter c, piezoelectric coefficient e 33 , and elastic moduli C 12 , C 13 , and C 23 are more sensitive to composition. Of the properties compared, the piezoelectric coefficients are influenced most significantly by changes in both the composition and order parameter. Lattice parameters undergo the smallest changes with order and composition, but these small differences appear to impart large trends in the other properties. Better understanding the effects of disorder and group IV alloying in Zn(Sn,Ge)N 2 allows for more accurate modeling of characteristics of this material system for solid state lighting and other applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗