We present detailed investigations of the structural, elastic, dielectric, and piezoelectric properties of scandium aluminum nitride (Sc_xAl_1−xN) with the wurtzite crystal structure by means of first-principles calculations based on density functional theory in order to enable a detailed comparison to the corresponding physical properties of GaAlN and InAlN. The goal of our approach is to use atomistic simulations to extract the novel solid state characteristics of Sc_xAl_1−xN crystals by the determination of complete sets of coefficients for the elastic, compliance, and piezoelectric tensor and to confirm the theoretical predictions by experimental measurements of selected tensor coefficients. The calculation of the tensor components is accompanied by a detailed analysis of the crystal structures, e.g., average bond length, bond angles, lattice parameters, and mass density in dependence on alloy composition of Sc_xAl_1−xN. If an increasing number of Al atoms of up to x = 0.5 are replaced by Sc atoms, we observe a nonlinear change of the ratio of lattice parameter $\frac{c(x)}{a(x)}$ and average bond angles of about 10% and 5%, respectively, which give an indication of an increasing deviation of the crystal structure of Sc_xAl_1−xN from an ideal hexagonal lattice. As a consequence of the deformed crystal structure and the iconicity of the Sc–N bond, we predict a change in value of the elastic coefficient $C_{33}^{ScAlN}(x)$ , the piezoelectric coefficient $e_{33}^{ScAlN}(x)$ , and the value of spontaneous polarization $P_{SP}^{ScAlN}(x)$ of up to 65%, 150%, and 230%, respectively. Based, on these simulation results, physical features of practical use are derived, like the average bulk, shear, and the Young modulus as well as the reciprocal Young's modulus and Poisson ratio. Furthermore, the spontaneous polarization of Sc_xAl_1−xN is approximated, taking nonlinear effects into account as well as the piezoelectric polarization caused by uniaxial, biaxial, and hydrostatic stresses in dependency on alloy composition and strain. A detailed comparison of the structural and polarization related properties of GaAlN and InAlN allows us to point out the peculiarity of wurtzite ScAlN crystals within the group III-nitrides.

Through its dependence on low symmetry crystal phases, ferroelectricity is inherently a property tied to the lower temperature ranges of the phase diagram for a given material. This paper presents conclusive evidence that in the case of ferroelectric Al_1−xSc_xN, low temperature has to be seen as a purely relative term, since its ferroelectric-to-paraelectric transition temperature is confirmed to surpass 1100 °C and thus the transition temperature of virtually any other thin film ferroelectric. We arrived at this conclusion through investigating the structural stability of 0.4–2 μm thick Al_0.73Sc_0.27N films grown on Mo bottom electrodes via in situ high-temperature x-ray diffraction and permittivity measurements. Our studies reveal that the wurtzite-type structure of Al_0.73Sc_0.27N is conserved during the entire 1100 °C annealing cycle, apparent through a constant c/a lattice parameter ratio. In situ permittivity measurements performed up to 1000 °C strongly support this conclusion and include what could be the onset of a diverging permittivity only at the very upper end of the measurement interval. Our in situ measurements are well-supported by ex situ (scanning) transmission electron microscopy and polarization and capacity hysteresis measurements. These results confirm the structural stability on the sub-μm scale next to the stability of the inscribed polarization during the complete 1100 °C annealing treatment. Thus, Al_1−xSc_xN, there is the first readily available thin film ferroelectric with a temperature stability that surpasses virtually all thermal budgets occurring in microtechnology, be it during fabrication or the lifetime of a device—even in harshest environments.

The piezoelectric and spontaneous polarization of wurtzite Sc_xAl_1−xN, Ga_xAl_1−xN, and In_xAl_1−xN ternary compounds dramatically affects the electrical properties of pseudomorphic Me_xAl_1−xN/GaN, Me_xAl_1−xN/AlN, and Me_xAl_1−xN/InN heterostructures and devices (Me: = Sc, Ga, In), due to bound interface charges caused by gradients in polarization at surfaces and heterointerfaces. We have calculated the piezoelectric and spontaneous polarization of undoped, metal polar Sc_xAl_1−xN barrier layers (0 ≤ x ≤ 0.5) pseudomorphically grown on InN, GaN, and AlN buffer layers, in order to compare the polarization induced surface and interface charges determined to the ones predicted and measured in heterostructures with Ga_xAl_1−xN and In_xAl_1−xN barriers (0 ≤ x ≤ 1.0). To facilitate the inclusion of the predicted polarization in future simulations, we give explicit prescriptions to calculate polarization induced bound interface charges for arbitrary x and barrier thicknesses up to 50 nm in each of the ternary III-N alloy heterostructures. In addition, we predict the electron sheet charges confined in heterostructures with positive polarization induced interface charges taking limitations for the epitaxial growth by strain and critical barrier thicknesses into account. Based on these results, we provide a detailed comparison of the sheet resistances and current-carrying capabilities of the heterostructures investigated, pointing to a superior potential of ScAlN/GaN based heterostructures for processing improved high electron mobility transistors for high-frequency and power electronic applications.

AlScN/GaN heterostructures are worth investigating due to the remarkable high gradients in spontaneous polarization at their interfaces, which brings them into play for a wide field of potential high-power and high-frequency electronic applications. In this work, AlScN/GaN heterostructures for high electron mobility transistor (HEMT) structures were grown by metalorganic chemical vapor deposition. We have investigated the impact of growth parameters on thick AlScN layers and on thin AlScN/GaN heterostructures. Growth parameters, such as temperature, V/III ratio, pressure, and growth mode, were varied with the focus on surface morphology, crystal quality, and incorporation of impurities. High growth temperatures improve the surface quality and reduce impurities incorporation notably. In addition to that, a slight decrease in carbon concentration is obtained by adopting a pulsed supply of metalorganic precursors. V/III ratio and pressure did not influence the layer quality observably. Heterostructures with root mean square surface roughness values as low as 0.38 nm, revealing smooth growth steps, were achieved. The presence of two-dimensional electron gases with sheet carrier densities and mobilities of up to 2 × 10¹³cm⁻² and close to 900 cm²/(V s), respectively, resulted in channel sheet resistances as low as 337 Ω/sq, very suitable for AlScN/GaN HEMTs. Heterostructures with sheet resistances below 200 Ω/sq and sheet carrier densities of 5 × 10¹³ cm⁻² were also achieved but showed significantly lower mobility.

Growth of AlScN high‐electron‐mobility transistor (HEMT) structures by metal–organic chemical vapor deposition (MOCVD) is challenging due to the low vapor pressure of the conventionally used precursor tris‐cyclopentadienyl‐scandium (Cp₃Sc). It is shown that the electrical and structural characteristics of the AlScN/GaN heterostructure improve significantly by using bis‐methylcyclopentadienyl‐scandiumchloride ((MCp)₂ScCl), which has a higher vapor pressure and allows for an increased molar flow and thus higher growth rate (GR). AlScN/GaN HEMT heterostructures with superior electrical characteristics deposited at different barrier growth temperatures are presented. The sheet resistance of 172 Ω sq⁻¹obtained at 900 °C barrier growth temperature is among the lowest reported so far for AlScN/GaN HEMT structures. The sheet charge carrier density is and the electron mobility μ is 1124 cm² Vs⁻¹.

In this paper, we present the development of submillimeter-wave monolithic integrated circuits (S-MMICs) and modules for use in next-generation sensors and high-data-rate wireless communication systems, operating in the 300-500-GHz frequency regime. A four-stage 460-GHz amplifier MMIC and a 440-GHz class-B frequency doubler circuit have been successfully realized using our 35-nm InAlAs/InGaAs-based metamorphic high-electron mobility transistor (mHEMT) technology in combination with grounded coplanar circuit topology (GCPW). Additionally, a 500-GHz amplifier MMIC was fabricated using a more advanced 20-nm mHEMT technology. To package the submillimeter-wave circuits, a set of waveguide-to-microstrip transitions has been fabricated on both 50-μm-thick quartz and GaAs substrates, covering the frequency range between 220 and 500 GHz. The E-plane probes were integrated in a four-stage 20-nm cascode amplifier circuit to realize a full H -band (220 to 325 GHz) S-MMIC amplifier module with monolithically integrated waveguide transitions.