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1. Mg-related charge transitions in Mg-doped Ga2O3

   https://doi.org/10.1117/12.2582040  

   Bhandari, Suman; Zvanut, Mary E. (March 2021, SPIE 11687, Oxide-based Materials and Devices XII)

   Teherani, Ferechteh H.; Look, David C.; Rogers, David J. (Ed.)

   Gallium oxide (Ga2O3), an ultra-wide bandgap semiconductor with potential applications in power devices, may be doped with Mg to control the native n-type conductivity. The charge transitions associated with Mg in Mg-doped β-Ga2O3 crystals are studied using photoinduced electron paramagnetic resonance (photo-EPR) spectroscopy to understand the mechanisms that produce stable semi-insulating substrates. The steady state photo-EPR measurements are performed at 130 K by illuminating the samples with photon energy from 0.7 to 4.7 eV. Our results show that there are two transitions associated with Mg in the bandgap: onset of quenching of neutral Mg at 1.5 eV and excitation at 3.0 eV. The quenching threshold is consistent with several DFT predicted values for Mg-/0 level. Therefore, we suggest the quenching is due to transition of an electron from the valence band to the neutral Mg. For photoexcitation, hole capture is the only viable process due to polaronic nature of neutral Mg in Ga2O3. The measurements demonstrate that electron excitation to impurities, such as Fe and Ir, does not contribute to creation of the holes. Further, gallium vacancies must not participate since their characteristic EPR spectrum is never seen. Thus, we speculate that the defects responsible for the hole formation and consequent excitation of the neutral Mg are oxygen vacancies. 

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2. Optical transitions of neutral Mg in Mg-doped β -Ga2O3

   https://doi.org/10.1063/5.0081925  

   Bhandari, Suman; Lyons, John_L; Wickramaratne, Darshana; Zvanut, M_E (February 2022, APL Materials)

   Gallium oxide when doped with Mg becomes semi-insulating and can be useful for power electronic devices. The present work investigates optical transitions of neutral Mg (MgGa0) using photoinduced electron paramagnetic resonance spectroscopy, a variation of the traditional optical absorption. Steady-state and time-dependent measurements are carried out at 130 K by illuminating the samples with photon energies from 0.7 to 4.4 eV. Interpretation of the data using a model that incorporates electron–phonon coupling yields a defect transition level that is consistent with the MgGa−/0 level obtained from hybrid density functional theory calculations. We conclude that the neutral to negative transition of MgGa that we observe involves an electron transition from the valence band to the defect, and the MgGa−/0 level is located 1.2 eV above the valence band maximum, with a relaxation energy of 1.3 eV. 

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3. The importance of the Mg–Mg interaction in Mg ₃ Sb ₂ –Mg ₃ Bi ₂ shown through cation site alloying

   https://doi.org/10.1039/C9TA11328B  

   Wood, Max; Imasato, Kazuki; Anand, Shashwat; Yang, Jiong; Snyder, G. Jeffrey (January 2020, Journal of Materials Chemistry A)

   Herein we study the effect alloying Yb onto the octahedral cite of Te doped Mg 3 Sb 1.5 Bi 0.5 has on transport and the material's high temperature stability. We show that the reduction in mobility can be well explained with an alloy scattering argument due to disrupting the Mg octahedral –Mg tetrahedral interaction that is important for placing the conduction band minimum at a location with high valley degeneracy. We note this interaction likely dominates the conducting states across n-type Mg 3 Sb 2 –Mg 3 Bi 2 solid solutions and explains why alloying on the anion site with Bi isn't detrimental to Mg 3 Sb 2 's mobility. In addition to disrupting this Mg–Mg interaction, we find that alloying Yb into the Mg 3 Sb 2 structure reduces its n-type dopability, likely originating from a change in the octahedral site's vacancy formation energy. We conclude showing that while the material's figure of merit is reduced with the addition of Yb alloying, its high temperature stability is greatly improved. This study demonstrates a site-specific alloying effect that will be important in other complex thermoelectric semiconductors such as Zintl phases. 

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4. Mg zonation and heterogeneity in low-Mg calcite microcrystals of a depositional chalk

   https://doi.org/10.2110/jsr.2020.173  

   Rinderknecht, Chanse J.; Hasiuk, Franek J.; Oborny, Stephan C. (August 2021, Journal of Sedimentary Research)

   null (Ed.)

   ABSTRACT Diagenetic low-magnesium calcite (LMC) microcrystals constitute the framework that hosts most micropores in limestone reservoirs and therefore create the storage capacity for hydrocarbons, water, and anthropogenic CO2. Limestones dominated by LMC microcrystals are also commonly used for paleoclimate reconstructions and chemostratigraphic correlations. LMC microcrystals are well known to exhibit a range of textures (e.g., granular, fitted, clustered), but there exists uncertainty with regard to how these textures form. One hypothesis is that during crystal growth, Mg is incorporated into diagenetic overgrowths (cement), where the chemical zonation and microtexture may reflect diagenetic processes. To evaluate small-scale geochemical zonation in LMC microcrystals, this study uses scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS) to measure the Mg/Ca ratio across the interiors of LMC granular microcrystals from a Late Cretaceous marine chalk from the Tor Fm. (Norwegian North Sea). Mg/Ca zonation was identified in all LMC microcrystals with a diameter > 5 μm. Generally, the cores of large crystals have lower Mg/Ca (≈ 5.9 mmol/mol) and the rims have elevated Mg/Ca (≈ 13 mmol/mol). Smaller microcrystals (< 5 μm) show no resolvable zonation, but do exhibit a wide range in Mg/Ca content from 2.9 to 32.2 mmol/mol. Measured Mg/Ca values are arbitrarily divided into three populations: low Mg (average ≈ 5.9 mmol/mol), intermediate Mg (average ≈ 13.3 mmol/mol), and high Mg (average ≈ 20 mmol/mol). The observed zonation and Mg enrichment within LMC microcrystals is interpreted to reflect depositional as well as multiple diagenetic signals, such as constructive precipitation through recrystallization and pore-filling cementation. Although chalk from the Tor Fm. is dominated by granular euhedral LMC microcrystals, using SEM-EDS to find Mg/Ca heterogeneity in other LMC microcrystal textures may provide insight into the diagenetic processes that create textural variations in micropore-dominated limestones. The Mg data also more broadly suggest that there is useful, measurable diagenetic information in material that is otherwise considered homogeneous. Distinguishing between possible primary compositions and secondary cementation has implications for studies that rely on the primary chemistry of fine-grained carbonate deposits (e.g., micrite), such as paleoclimatology, Mg paleothermometry, and chemostratigraphy. 

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5. Evolution of the Dynamic Solid Electrolyte Interphase in Mg Electrolytes for Rechargeable Mg-Ion Batteries

   https://doi.org/10.1021/acsami.2c13037  

   Fan, Shengqi; Cora, Saida; Sa, Niya (October 2022, ACS Applied Materials & Interfaces)