514 citations · 1.8k across the 73 of their papers we have counts for
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Revealing epitaxial relationships at GaO interfaces with p-type oxides
Anna Sacchi, Krishna Acharya, Michelle A. Smeaton +5
p-type oxide contact layers such as CrO and NiO are attracting increasing interest in pn-heterojunctions with n-type monoclinic -GaO for high-power electronic de…
Low resistance NiO/β-Ga_{2}O_{3} heterojunction diodes grown via molecular beam epitaxy
Dagny Sacksteder, Anna Sacchi, Renae Gannon +4
NiO is one of the most important p-type oxide contact materials used in many semiconductor technologies. However, current NiO growth methods can induce interfacial damage that dimi…
High-Temperature Hydrogen Sensors Based on Gallium Oxide Heterojunction Diodes
William A. Callahan, Kingsley Egbo, Anna Sacchi +5
Long-term, high temperature operation of Ga2O3 devices is a crucial hurdle that must be overcome before widespread adoption of the technology can be achieved, but is largely absent…
Revealing the Atomic Structure of NiO/GaO Interfaces
Michelle A. Smeaton, Krishna Acharya, Anna Sacchi +5
NiO/GaO heterojunctions have garnered significant attention for use in power electronics due to the ultrawide bandgap and wafer-scale availability of GaO an…
Fast Homoepitaxy on (100) \b{eta}-Ga2O3 Substrates with Large Grown-In Offcut
M. Brooks Tellekamp, Drew Haven, David Joyce +7
The choice of crystalline orientation and offcut angle is non-trivial for low-symmetry , where anisotropy impacts bulk and thin film synthesis, material pr…
Composition-dependent Thin-film Synthesis of Layered Ternary Iron Nitrides FeMN2 (M = W, Mo)
Baptiste Julien, Liam A. V. Nagle-Cocco, Yuwei Yang +3
Ternary transition-metal nitrides with layered crystal structure host anisotropic bonding and reduced dimensionality that may lead unconventional electronic and magnetic behavior.…
Synthesis and properties of bulk MgWN in a wurtzite-derived structure
Anna A. Berseneva, Christopher L. Rom, Layton Rudolph +5
Experimental synthesis of theoretically predicted materials with controlled elemental coordination environments can lead to realization of useful properties, such as facile ion tra…
Systematic comparison of approximations and functionals in first-principle calculations of aluminum-based III-V ferroelectric nitrides
Alejandro Mercado Tejerina, Peng Chen, Keisuke Yazawa +3
We revisit first-principles predictions of structural, ferroelectric, and electronic properties in aluminum-based III-V nitride alloys, focusing on Al1-xScxN and Al1-xBxN. Using de…
Born-Qualified: An Autonomous Framework for Deploying Advanced Energy and Electronic Materials
Steven R. Spurgeon, Milad Abolhasani, Frederick Baddour +28
Autonomous science is transforming how we discover materials and chemical systems for advanced energy technologies. However, many initially promising systems never reach deployment…
Thin film synthesis of SrZn2P2 with SrI2 post-annealing for enhanced crystallinity and optoelectronic quality
Sita Dugu, Shaham Quadir, Christopher P. Muzzillo +11
Ternary Zintl phosphides are promising light-absorbing semiconductors for thin-film optoelectronic applications, but strategies for controlling their microstructure and optoelectro…
Long photoexcited carrier lifetime in a stable and earth-abundant zinc polyphosphide
Zhenkun Yuan, Genevieve Amobi, Shaham Quadir +16
Halide perovskites have revolutionized optoelectronics by demonstrating that long carrier lifetime can be achieved in materials processed in relatively uncontrolled environments, w…
Thin-Film Stabilization and Magnetism of η-Carbide Type Iron Nitrides
Baptiste Julien, Abrar Rauf, Liam A. V. Nagle-Cocco +4
Transition-metal nitrides in η-carbide type structures exhibit unusual bonding motifs and proximity to magnetic instabilities. Yet they remain unexplored in thin-film form due to t…
Epitaxial growth and semiconductor properties of NiGa2O4 spinel for Ga2O3/NiO interfaces
Kingsley Egbo, Emily M. Garrity, Shivashree Shivamade Gowda +8
Unintentionally formed interfacial layers are ubiquitous in semiconductor devices that operate at extreme conditions. However, these layers' structure and properties often remain u…
Towards a deeper fundamental understanding of (Al,Sc)N ferroelectric nitrides
Peng Chen, Dawei Wang, Alejandro Mercado Tejerina +4
Density Functional Theory (DFT) calculations, within the virtual crystal alloy approximation, are performed, along with the development of a Landau-type model employing a symmetry-…
Emerging ultra-wide band gap semiconductors for future high-frequency electronics
Emily M. Garrity, Theodora Ciobanu, Andriy Zakutayev +1
To meet the growing demands of advanced electronic systems, next-generation power and RF semiconductor devices must operate efficiently at higher power levels and switching frequen…
Efficient broadband terahertz generation by above band-gap excitation of the pyroelectric ZnSnN2
T. S. Seifert, H. Hempel, O. Gückstock +10
Terahertz (THz) radiation is a powerful probe of low-energy excitations in all phases of matter. However, it remains a challenge to find materials that efficiently generate THz rad…
Stability, growth, and doping of In(Si, Ge)O as promising n-type wide-gap semiconductors
Cheng-Wei Lee, Kingsley Egbo, Emily Garrity +4
In this paper we investigate, computationally and experimentally, the phase stability, electronic structure properties, and the propensity for n-type doping of InXO$_{7…
Structural stability, elemental ordering, and transport properties of layered ScTaN2
Baptiste Julien, Ian A. Leahy, Rebecca W. Smaha +4
Some ternary TM nitrides are predicted to adopt layered structures that make them interesting for thermoelectric conversion and quantum materials applications. Synthesis of TM tern…
A Map of the Zintl AM2Pn2 Compounds: Influence of Chemistry on Stability and Electronic Structure
Andrew Pike, Zhenkun Yuan, Gideon Kassa +9
The AM2Pn2 (A= Ca, Sr, Ba, Yb, Mg; M= Mn, Zn, Cd, Mg; and Pn=N, P, As, Sb, Bi) family of Zintl phases has been known as thermoelectric materials and has recently gained much attent…
Ion exchange synthesizes layered polymorphs of MgZrN and MgHfN, two metastable semiconductors
Christopher L. Rom, Matthew Jankousky, Maxwell Q. Phan +5
The synthesis of ternary nitrides is uniquely difficult, in large part because elemental N is relatively inert. However, lithium reacts readily with other metals and N, mak…
From Text to Test: AI-Generated Control Software for Materials Science Instruments
Davi M Fébba, Kingsley Egbo, William A. Callahan +1
Large language models (LLMs) are transforming the landscape of chemistry and materials science. Recent examples of LLM-accelerated experimental research include virtual assistants…
Low-Temperature Synthesis of Stable CaZnP Zintl Phosphide Thin Films as Candidate Top Absorbers
Shaham Quadir, Zhenkun Yuan, Guillermo Esparza +14
The development of tandem photovoltaics and photoelectrochemical solar cells requires new absorber materials with band gaps in the range of ~1.5-2.3 eV, for use in the top cell pai…
Synthesis pathways to thin films of stable layered nitrides
Andriy Zakutayev, Matthew Jankousky, Laszlo Wolf +7
Controlled synthesis of metastable materials away from equilibrium is of interest in materials chemistry. Thin film deposition methods with rapid condensation of vapor precursors c…
GdWN is a Nitride Perovskite
Rebecca W. Smaha, John S. Mangum, Neha Yadav +8
Nitride perovskites N are an emerging and highly under-explored class of materials that are of interest due to their intriguing calculated ferroelectric, optoelectronic, an…