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Nanostructured MgO powders have been synthesized using chemical methods. Ammonium oxalate and Magnesium sulphate were used as the precursor materials. The weight ratios of the raw materials (ammonium oxalate/Magnesium sulphate) were 0.9, 1, 1.1, 1.2, 1.3, and 1.4. As a result of chemical reaction (between them), Magnesium oxalate was synthesized. Produced samples were analyzed by XRD and SEM. The results show that the best ratio (for ammonium oxalate/Magnesium sulphate) is 1.4. Produced Magnesium oxalate powder was heated at 450 and 550°C. The final product was MgO nanopowder. XRD studies indicate that the highest ratio of MgO was observed in the specimen heated at 450°C.

First principles and quasi-harmonic Debye model have been used to study the thermodynamic properties, enthalpies, electronic and optical properties of MgO up to the core–mantle boundary (CMB) condition (137 GPa and 3700 K). Thermodynamic properties calculation includes thermal expansion coefficient and capacity, which have been studied up to the CMB pressure (137 GPa) and temperature (3700 K) by the Debye model with generalized gradient approximation (GGA) and local-density approximation (LDA). First principles with hybrid functional method (PBE0) has been used to calculate the electronic and optical properties under pressure up to 137 GPa and 0 K. Our results show the Debye model with LDA and first principles with PBE0 can provide accurate thermodynamic properties, enthalpies, electronic and optical properties. Calculated enthalpies show that MgO keep NaCl (B1) structure up to 137 GPa. And MgO is a direct bandgap insulator with a 7.23 eV calculated bandgap. The bandgap increased with increasing pressure, which will induce a blue shift of optical properties. We also calculated the density of states (DOS) and discussed the relation between DOS and band, optical properties. Equations were used to fit the relations between pressure and bandgaps, absorption coefficient ($\alpha$($\omega$)) of MgO. The equations can be used to evaluate pressure after careful calibration. Our calculations can not only be used to identify some geological processes, but also offer a reference to the applications of MgO in the future.

We have determined the melting slopes as a function of pressure for MgO up to a pressure of 135 GPa, and for LiF up to a pressure of 100 GPa using the Lindemann law. Values of melting temperature have also been calculated from the melting slopes using Euler’s finite difference calculus method. It is found that the melting slope decreases continuously with the increase in pressure giving a nonlinear pressure dependence of the melting temperature. Values of bulk modulus and the Grüneisen parameter appearing in the Lindemann law of melting have been determined using the Stacey reciprocal K-primed equation of state and the Shanker reciprocal gamma relationship. The results for melting temperatures of MgO and LiF at different pressures are compared with the available experimental data. Values of melting temperatures at different pressures determined from the Al’tshuler relationship for the volume dependence of the Grüneisen parameter have also been included in the comparison presented.

The main component of magnetically selected cesium frequency standard is electron multiplier. Its working principle is to magnify cesium beam signal by emitting secondary electron through surface of material. Magnesium oxide (MgO) has been adopted due to its excellent capability to emit secondary electron. There are many ways to prepare MgO thin film, including evaporation, pulsed laser deposition and MOCVD. It has been studied that doping can be used to enhance its emission capability and decrease its working potential of the thin film. In this paper, Ti-doped MgO thin films were deposited by magnetron sputtering method. Titanium metal and MgO ceramic were co-sputtered in oxygen containing argon ambient with DC and RF power source, respectively. XRD results show that the deposited film has the texture of (100) and (110) orientation. The ratio of Ti/Mg were consistent in XPS and EDS. SEM and AFM show that the film is polycrystalline. Electron multiplier device was assembled, and the secondary electron emission coefficient of the Ti-doped MgO film is greater than that of the undoped one, especially 36% higher at low primary electron energy of 200 eV which is meaningful to cesium atomic frequency standard.