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MoSi2N4 is a two-dimensional ternary nitride semiconductor that has attracted attention for its excellent mechanical and thermal properties. Theoretical studies predict that zigzag edges of this material can host magnetic edge states and Dirac fermions, but the stability of such edges has not been examined. Here, we present a density functional theory study of the electronic and thermodynamic properties of MoSi2N4 edges. We develop a (partial) ternary phase diagram that identifies a region of chemical potentials within which MoSi2N4 is stable over competing elemental or binary phases. Based on this phase diagram, we determine the thermodynamic stability of several armchair and zigzag edges and elucidate their electronic structures. Bare zigzag edges, predicted to host exotic electronic states, are found to be substantially higher in energy than armchair edges and, thus, unlikely to occur in practice. However, with hydrogen passivation, these zigzag edges can be stabilized relative to their armchair counterparts while retaining metallicity and magnetic order. Our analysis provides a solid thermodynamic basis for further exploration of MoSi2N4 in nanoscale electronics and spintronics. 

Computational spectrometry is an emerging field that uses photodetection in conjunction with numerical algorithms for spectroscopic measurements. Compact single photodetectors made from layered materials are particularly attractive since they eliminate the need for bulky mechanical and optical components used in traditional spectrometers and can easily be engineered as heterostructures to optimize device performance. However, such photodetectors are typically nonlinear devices, which adds complexity to extracting optical spectra from their response. Here, we train an artificial neural network to recover the full nonlinear spectral photoresponse of a single GeSe-InSe p-n heterojunction device. The device has a spectral range of 400 to 1100 nm, a small footprint of ~25 × 25 square micrometers, and a mean reconstruction error of 2 × 10⁻⁴for the power spectrum at 0.35 nanometers. Using our device, we demonstrate a solution to metamerism, an apparent matching of colors with different power spectral distributions, which is a fundamental problem in optical imaging.