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In this paper, we investigate, computationally and experimentally, the phase stability, electronic structure properties, and the propensity for n-type doping of In2X2O7 (X = Si, Ge) ternary oxides. This family of materials contains promising novel wide-gap semiconductors based on their estimated high n-type Baliga figures of merit and acceptable thermal conductivity for power electronics applications. Here, we predict that both In2Si2O7 and In2Ge2O7 are n-type dopable, with Zr providing between 1016 and above 1021 cm−3 net donor concentrations under O-poor conditions, depending on the chemistry, structure (ground-state thortveitite or high-pressure pyrochlore), and synthesis temperature. To verify our predictions, we synthesize Zr-doped In2Ge2O7 in the thortveitite structure and measure its electrical properties. Initial thin-film growth and annealing lead to polycrystalline thin films with bandgaps over 4 eV and confirm Zr doping predictions by achieving electron concentrations at 1014–1016 cm−3 even under O-rich conditions. While future epitaxial growth development is still needed, this study establishes In2X2O7 as promising n-type wide-gap semiconductors for power electronic applications. 

Wurtzite $(\mathrm{Al},\mathrm{Sc})\mathrm{N}$ferroelectrics are attractive for microelectronics applications due to their chemical and structural compatibility with wurtzite semiconductors, such as $\mathrm{Ga}\mathrm{N}$and $(\mathrm{Al},\mathrm{Ga})\mathrm{N}$. However, the leakage current in epitaxial stacks reported to date should be reduced for reliable device operation. Here, we demonstrate low leakage current in epitaxial ${\mathrm{Al}}_{0.7}{\mathrm{Sc}}_{0.3}\mathrm{N}$films on $\mathrm{Ga}\mathrm{N}$with well-saturated ferroelectric hysteresis loops that are orders of magnitude lower (i.e., 0.07 A ${\mathrm{cm}}^{-2}$) than previously reported films (1–19 A ${\mathrm{cm}}^{-2}$) having similar or better structural characteristics. We also show that, for these high-quality epitaxial $(\mathrm{Al},\mathrm{Sc})\mathrm{N}$films, structural quality (edge and screw dislocations), as measured by diffraction techniques, is not the dominant contributor to leakage. Instead, the small leakage in our films is limited by thermionic emission across the interfaces, which is distinct from the large leakage due to trap-mediated bulk transport in the previously reported $(\mathrm{Al},\mathrm{Sc})\mathrm{N}$films. To support this conclusion, we show that ${\mathrm{Al}}_{0.7}{\mathrm{Sc}}_{0.3}\mathrm{N}$on lattice-matched ${\mathrm{In}}_{0.18}{\mathrm{Ga}}_{0.82}\mathrm{N}$buffers with improved structural characteristics but higher interface roughness exhibit increased leakage characteristics. This demonstration of low leakage current in heteroepitaxial $(\mathrm{Al},\mathrm{Sc})\mathrm{N}$films and understanding of the importance of interface barrier and surface roughness can guide further efforts toward improving the reliability of wurtzite ferroelectric devices. Published by the American Physical Society2025 

Wurtzite-type ferroelectrics have drawn increasing attention due to the promise of better performance and integration than traditional oxide ferroelectrics with semiconductors such as Si, SiC, and III-V compounds. However, wurtzite-type ferroelectrics generally require enormous electric fields, approaching breakdown, to reverse their polarization. The underlying switching mechanism(s), especially for multinary compounds and alloys, remains elusive. Here, we examine the switching behaviors in Al_1−xSc_xN alloys and wurtzite-type multinary candidate compounds we recently computationally identified. We find that switching in these tetrahedrally coordinated materials proceeds via a variety of nonpolar intermediate structures and that switching barriers are dominated by the more-electronegative cations. For Al_1−xSc_xN alloys, we find that the switching pathway changes from a collective mechanism to a lower-barrier mechanism enabled by inversion of individual tetrahedra with increased Sc composition. Our findings provide insights for future engineering and realization of wurtzite-type materials and open a door to understanding domain motion. 

Low-energy compute-in-memory architectures promise to reduce the energy demand for computation and data storage. Wurtzite- type ferroelectrics are promising options for both performance and integration with existing semiconductor processes. The Al1-xScxN alloy is among the few tetrahedral materials that exhibit polarization switching, but the electric field required to switch the polarization is too high (few MV/cm). Going beyond binary com- pounds, we explore the search space of multinary wurtzite-type compounds. Through this large-scale search, we identify four prom- ising ternary nitrides and oxides, including Mg2PN3, MgSiN2, Li2SiO3, and Li2GeO3, for future experimental realization and engi- neering. In >90% of the considered multinary materials, we identify unique switching pathways and non-polar structures that are distinct from the commonly assumed switching mechanism in AlN-based materials. Our results disprove the existing design principle based on the reduction of the wurtzite c/a lattice parameter ratio when comparing different chemistries while sup- porting two emerging design principles—ionicity and bond strength. 

Abstract The development of tandem photovoltaics and photoelectrochemical solar cells requires new absorber materials with bandgaps in the range of ≈1.5–2.3 eV, for use in the top cell paired with a narrower‐gap bottom cell. An outstanding challenge is finding materials with suitable optoelectronic and defect properties, good operational stability, and synthesis conditions that preserve underlying device layers. This study demonstrates the Zintl phosphide compound CaZn₂P₂as a compelling candidate semiconductor for these applications. Phase‐pure, ≈500 nm‐thick CaZn₂P₂thin films are prepared using a scalable reactive sputter deposition process at growth temperatures as low as 100 °C, which is desirable for device integration. Ultraviolet‐visible  spectroscopy shows that CaZn₂P₂films exhibit an optical absorptivity of ≈10⁴ cm⁻¹at ≈1.95 eV direct bandgap. Room‐temperature photoluminescence (PL) measurements show near‐band‐edge optical emission, and time‐resolved microwave conductivity (TRMC) measurements indicate a photoexcited carrier lifetime of ≈30 ns. CaZn₂P₂is highly stable in both ambient conditions and moisture, as evidenced by PL and TRMC measurements. Experimental data are supported by first‐principles calculations, which indicate the absence of low‐formation‐energy, deep intrinsic defects. Overall, this study shall motivate future work integrating this potential top cell absorber material into tandem solar cells. 

ABSTRACT Ternary nitride alloys based on wurtzite AlN are a promising platform to realize functional materials, particularly ferroelectrics and optical emitters, that can smoothly integrate with conventional microelectronics. Here, a strategic design is presented to enable multifunctional materials by substituting multiple elements into AlN to create quaternary nitride alloys. By combining computational predictions and combinatorial thin film synthesis, the phase diagram of these quaternary Al–Sc–Gd–N alloys (or pseudo‐ternary heterostructural AlN–ScN–GdN alloys) is successfully predicted as a function of effective temperature, and we experimentally grow thin films for the first time. It is revealed that crystallizes in a wurtzite‐derived structure for , consistent with the calculated phase diagram. The computational investigation explores whether co‐substitution induces cooperative effects on these alloys' piezoelectric and ferroelectric properties, finding that it is beneficial for reducing the polarization switching barrier. We calculate that thin films should display ferroelectric switching. This is supported by our experimental measurements of a high optical bandgap, enhanced piezoelectric coefficient, and a change in the calculated polarization switching mechanism, and we achieve preliminary ferroelectric switching that experimentally realizes the prediction. Overall, our work sets the foundation toward quaternary wurtzite‐nitride‐based multifunctional materials, including piezoelectrics, ferroelectrics, and possibly even multiferroics. 

A high-speed and high-power current measurement instrument is described for measuring rapid switching of ferroelectric samples with large spontaneous polarization and coercive field. Instrument capabilities (±200 V, 200 mA, and 200 ns order response) are validated with a LiTaO3 single crystal whose switching kinetics are well known. The new instrument described here enables measurements that are not possible using existing commercial measurement systems, including the observation of ferroelectric switching in large coercive field and large spontaneous polarization Al0.7Sc0.3N thin films.