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August 2018 - September 2018
January 2017 - May 2017
Publications
Publications (18)
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...
Cation disorder is increasingly being studied as a means of tuning properties in electronic materials. Through Monte Carlo simulations and first-principles calculations, we determine the ranges of elastic moduli and polarization constants in ZnGeN2 as a function of ordering. We use heterostructure calculations to demonstrate a disorder-dependent ty...
New optoelectronic materials are needed for improving the efficiency and reliability of devices such as solar cells. Cation ordering presents one means of controlling optoelectronic properties while introducing potential to also diversify the mineral constituents of electronic devices; however, the mechanisms of ordering are not yet well understood...
The bandgap of ZnGeN2 changes with the degree of cation site disorder and is sought in light emitting diodes for emission at green to amber wavelengths. By combining the perspectives of carrier localization and defect states, we analyze the impact of different degrees of disorder on electronic properties in ZnGeN2, addressing a gap in current studi...
Cation site disorder provides a degree of freedom in the growth of ternary nitrides for tuning the technologically relevant properties of a material system. For example, the band gap of ZnGeN$_2$ changes when the ordering of the structure deviates from that of its ground state. By combining the perspectives of carrier localization and defect states...
ZnGeN2 is sought as a semiconductor with comparable lattice constant to GaN and tunable band gap for integration in optoelectronic devices. Configurational disorder on the cation sublattice of ZnGeN2 can strongly modify the electronic structure compared to the ordered material, and both ordered and disordered forms of ZnGeN2 are candidates for ligh...
We present a new solid-state material phase which is a disordered solid solution but offers many ordered line-compound features. The emergent physical phenomena are rooted in the perfect short-range order which conserves the local octet rule. We model the dual-sublattice-mixed semiconductor alloy \({\mathrm{(ZnSnN}}_{\mathrm{2}}{\mathrm{)}}_{1 - x}...
Cation-disordered ZnGeN2 shows promise for application as a blue-green emitter in light-emitting devices, but more foundational work is necessary to understand structure-property relationships. In this work, we present a combinatorial exploration of the experimental phase space of wurtzite (cation-disordered) ZnGeN2 using high-throughput co-sputter...
Controlling site disorder in ternary and multinary compounds enables tuning optical and electronic properties at fixed lattice constants and stoichiometries, moving beyond many of the challenges facing binary alloy systems. Here, we consider possible enhancements to energy-related applications through the integration of disorder-tunable materials i...
Multinary materials show promise for many applications due to their functional tunability. In article number 1807406, Jie Pan, Stephan Lany, and co‐workers demonstrate a predictive structure–synthesis–property model for the design of multinary materials, considering off‐stoichiometry, disorder, impurities, defects, and non‐equilibrium synthesis. Us...
The opportunity for enhanced functional properties in semiconductor solid solutions has attracted vast scientific interest for a variety of novel applications. However, the functional versatility originating from the additional degrees of freedom due to atomic composition and ordering comes along with new challenges in characterization and modeling...
Tin (II) Monosufide (SnS) is an interesting material for thin film photovoltaics. n- and p-type sputter-deposited SnSx have been investigated for use in a homojunction photovoltaic device. Post-deposition vacuum heat treatment of as-deposited amorphous films was found to produce n-type SnSx and p-type SnS depending upon in situ vacuum anneal time a...
Tin (II) Monosulfide (SnS) has become an interesting new material for thin film photovoltaics. SnS-based devices have achieved limited success in improved solar cell efficiency. While annealing is a typical post-deposition treatment used to improve thin film quality, sulfur volatility is an issue, despite strong Sn-S bonds in tin sulfide compounds....
Tin (II) Monosulfide (SnS) is of increasing interest to researchers due to its near-optimal optoelectronic properties for photovoltaic devices. In this work, we take a new approach using a Tin (IV) Disulfide target to sputter SnS thin films. Sulfur-rich SnS thin films are produced via in situ heating of the substrate. Experimentation with substrate...