Influence of Stress on Electronic and Optical Properties of Rocksalt and Wurtzite MgO–ZnO Nanocomposites with Varying Concentrations of Magnesium and Zinc

The financial support of M-ERA.NET project “ZnMgO materials with tunable band gap for solar-blind UV sensors” (ZMOMUVS) is greatly acknowledged. The Institute of Solid State Physics, University of Latvia, as the Center of Excellence, has received funding from the European Union’s Horizon 2020 Framework Program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement no. 739508, project CAMART2. The calculations were performed at the Latvian SuperCluster (LASC) located at the Institute of Solid State Physics, University of Latvia.The structural, electronic and optical properties of stressed MgO–ZnO nanocomposite alloys with concentrations of Zn and Mg varying from 0.125 to 0.875 were studied using ab initio simulations. Two crystal structures are considered for the initial MgO–ZnO alloys: the rocksalt Mg (Formula presented.) Zn (Formula presented.) O and wurtzite Zn (Formula presented.) Mg (Formula presented.) O phases. For rocksalt Mg (Formula presented.) Zn (Formula presented.) O, the optimized structures are stable at pressures below 10 GPa. The larger the Mg concentration and pressure, the wider the (Formula presented.) of the rocksalt phase. In contrast, the optimal geometries of wurtzite Zn (Formula presented.) Mg (Formula presented.) O reveal a diversity of possibilities, including rocksalt, wurtzite and mixed phases. These effects lead to the fact that the optical properties of wurtzite Zn (Formula presented.) Mg (Formula presented.) O not only demonstrate the properties of the wurtzite phase but also indicate the optical features of the rocksalt phase. In addition, mixed phases of Zn (Formula presented.) Mg (Formula presented.) O simultaneously provide the characteristics of both wurtzite and rocksalt phases with the same structures in different dielectric matrices. © 2022 by the authors. --//-- This is an open access publication Lin Y.-P., Piskunov S., Trinkler L., Chou M.M.-C., Chang L. "Influence of Stress on Electronic and Optical Properties of Rocksalt and Wurtzite MgO–ZnO Nanocomposites with Varying Concentrations of Magnesium and Zinc" (2022) Nanomaterials, 12 (19), art. no. 3408, DOI: 10.3390/nano12193408 published under the CC BY 4.0 licence.M-ERA.NET project “ZnMgO materials with tunable band gap for solar-blind UV sensors” (ZMOMUVS); the Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement no. 739508, project CAMART2

Electronic and Optical Properties of Rocksalt Mg1−xZnxO and Wurtzite Zn1−xMgxO with Varied Concentrations of Magnesium and Zinc

The financial support of M-ERA.NET project “ZnMgO materials with tunable band gap for solar-blind UV sensors” (ZMOMUVS) is acknowledged. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART2. The calculations were performed at the Latvian SuperCluster (LASC) located in Institute of Solid State Physics, University of Latvia.The structural, electronic and optical properties of rocksalt Mg (Formula presented.) Zn (Formula presented.) O and wurtzite Zn (Formula presented.) Mg (Formula presented.) O with the concentration of Zn and Mg varying from 0.125 to 0.875 were investigated using density functional theory (DFT), DFT+U, linear response theory and the Bethe–Salpeter equation. According to the experimental band gap for varied concentrations of magnesium and zinc, modeling the supercell was utilized for the varied concentrations of Mg/Zn/O compounds in order to not only avoid constructing the complicated interface systems that are observed in the experiments but also take into account the excitonic effects that usually require huge computational resources. From the calculated density of states, the Zn states are highly related to the edge of the conduction band minimum and responsible for the width of bandgap. In addition, the contribution of Zn–d states is below expectations as they are located away from the VBM. As for the optical response, an increase in Zn concentration would cause a red-shifted spectrum, on the whole. In contrast, the higher concentration of Mg also triggers the blue-shift of the optical spectrum. In addition, anisotropic properties could be found in the spectrum with consideration of the excitonic effects, whereas there is no apparent difference in optical response based on linear response theory. In addition, the optical features of this work reflect the characteristic peaks of the literature around the absorption onset. © 2022 by the authors.--//-- This is an open access article in Y.-P., Piskunov S., Trinkler L., Ming-Chi Chou M., Chang L. "Electronic and Optical Properties of Rocksalt Mg1−xZnxO and Wurtzite Zn1−xMgxO with Varied Concentrations of Magnesium and Zinc" (2022) Materials, 15 (21), art. no. 7689, DOI: 10.3390/ma15217689 published under the CC BY 4.0 licence.M-ERA.NET project ZMOMUVS; Institute of Solid-State Physics, University of Latvia has received funding from the European Union's Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-Teaming Phase 2 under grant agreement No. 739508, project CAMART2

Microstructure of non-polar GaN on LiGaO2 grown by plasma-assisted MBE

We have investigated the structure of non-polar GaN, both on the M - and A-plane, grown on LiGaO2 by plasma-assisted molecular beam epitaxy. The epitaxial relationship and the microstructure of the GaN films are investigated by transmission electron microscopy (TEM). The already reported epi-taxial relationship and for M -plane GaN is confirmed. The main defects are threading dislocations and stacking faults in both samples. For the M -plane sample, the density of threading dislocations is around 1 × 1011 cm-2 and the stacking fault density amounts to approximately 2 × 105 cm-1. In the A-plane sample, a threading dislocation density in the same order was found, while the stacking fault density is much lower than in the M -plane sample

Anisotropic photoluminescence of nonpolar ZnO epilayers and ZnO/Zn1 −xMgxO multiple quantum wells grown on LiGaO2 substrate

Ministry of Science and Technology, Taiwan (104-2221-E-110-012-MY3, 107-2221-E-110-004-MY3); National Natural Science Foundation of China (51602309, U1605245).The temperature-dependent polarized photoluminescence spectra of nonpolar ZnO samples were investigated by 263 nm laser. The degree of polarization (DOP) of m-plane quantum wells changes from 76% at 10 K to 40% at 300 K, which is much higher than that of epilayer. The strong anisotropy was presumably attributed to the enhanced confinement effect of a one-dimension confinement structure formed by the intersection of quantum well and basal stacking fault. The polarization of laser beam also has an influence on the DOP. It is assumed that the luminescence polarization should be affected not only by the in-plane strains but also the microstructural defects, which do modify the electronic band structure.Ministry of Science and Technology, Taiwan 104-2221-E-110-012-MY3,107-2221-E-110-004-MY3; National Natural Science Foundation of China U1605245,51602309; Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART

Luminescence properties of LiGaO2 crystal

The study was supported by the Latvia-Lithuania-Taiwan research project “Nonpolar ZnO thin films: growth-related structural and optical properties” (Latvia: LV-LT-TW/2016/5 , Lithuania: TAP LLT 02/2014 , Taiwan: MOST 103-2923-M-110-001-MY3 ).The comprehensive spectral study of lithium metagallate LiGaO2 crystal has been done including methods of pump-probe techniques, optical absorption, photoluminescence, luminescence kinetics, thermoluminescence and polarised luminescence in broad temperature region. Luminescence spectrum of the crystal contains the main emission bands at 4.43, 3.76, 2.38 and 1.77 eV. The novel data on luminescence excitation spectra including VUV area, kinetics and polarization are presented. The correlation between pump-probe experiment results and luminescence properties is found. Conclusions are done about the recombination character of all the observed emission bands, implying tunnel recombination of donor-acceptor pairs.Ministry of Science and Technology 103-2923-M-110-001-MY3; Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART

Western Star, 1915-03-31

The Western Star began publication on Newfoundland's west coast on 4 April 1900, appearing weekly with brief semiweekly periods up to 1952, when it became a daily. As of 17 April 2019 it continues as a free weekly community paper

Luminescence properties of LiGaO2 crystal

The study was supported by the Latvia-Lithuania-Taiwan research project “Nonpolar ZnO thin films: growth-related structural and optical properties” (Latvia: LV-LT-TW/2016/5 , Lithuania: TAP LLT 02/2014 , Taiwan: MOST 103-2923-M-110-001-MY3 ).The comprehensive spectral study of lithium metagallate LiGaO2 crystal has been done including methods of pump-probe techniques, optical absorption, photoluminescence, luminescence kinetics, thermoluminescence and polarised luminescence in broad temperature region. Luminescence spectrum of the crystal contains the main emission bands at 4.43, 3.76, 2.38 and 1.77 eV. The novel data on luminescence excitation spectra including VUV area, kinetics and polarization are presented. The correlation between pump-probe experiment results and luminescence properties is found. Conclusions are done about the recombination character of all the observed emission bands, implying tunnel recombination of donor-acceptor pairs.Ministry of Science and Technology 103-2923-M-110-001-MY3; Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART