Optical properties of amorphous and polycrystalline BeO thin films from electron energy loss measurements

Gründler, R.; Tews, W.

doi:10.1002/pssb.2220860138

Cited by 25 publications

(6 citation statements)

References 22 publications

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“…-Absorbance curve for ZnO and BeO with GGA 1.5 eV, i.e., equivalent to the wavelength estimated at 826.6 nm, which is fairly close to the results of previous studies[16]. The absorption range of BeO is approximately 7-120 eV, i.e., in the range of 10.33-165.33 nm, and its largest absorbance value is approximately at an energy of 10.2 eV, i.e., at a wavelength of 121.56 nm, and these results are very close to what has been previously achieved[17].…”

supporting

confidence: 92%

Ab Initio Study of the Electronic and Optical Properties of ZnO and BeO: First Principles Calculations

Benkrima¹,

Chaouche²,

Souigat³

et al. 2022

J. Nano- Electron. Phys.

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The ab initio pseudopotential method is based on Density Functional Theory (DFT), in which the Generalized Gradient Approximation (GGA) according to the scheme described by Perdew-Burke-Ernzerhof (PBE) and the Local Density Approximation (LDA) according to the scheme described by Ceperly-Alder (CA) are used. The method is realized utilizing the Siesta program to study the structural and electronic properties of the wurtzite phase of zinc oxide (ZnO) and beryllium oxide (BeO) compounds. Indeed, it is a useful method to predict the crystal structures of ZnO and BeO. Actually, the calculated structural parameters of these compounds are consistent with the available experimental data, so these results can be considered as a good prediction. Both the lattice constants and band gaps at zero pressure are found to be consistent with previous theoretical and experimental results. In addition, the bond length is verified and compared with that of the previous work. The band structure results calculated by GGA are compared with those obtained using LDA, where the approximated values turn out to be the most accurate. The electronic properties, especially the total density of states (TDOS), show the process of electron density distribution in the region close to the Fermi level for both compounds. Comparison of the calculated lattice parameters and all electronic properties with the available experimental values reveals their compatibility. These results are in good agreement with the theoretical results.

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supporting

confidence: 92%

Ab Initio Study of the Electronic and Optical Properties of ZnO and BeO: First Principles Calculations

Benkrima¹,

Chaouche²,

Souigat³

et al. 2022

J. Nano- Electron. Phys.

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“…Furthermore, we observed that BeO is a direct band gap (G–G). From Figure , we can see that the result of the band gap for BeO (8.336 eV) agrees with the theoretical values (7.56 eV and 6.991 eV), but smaller than the experimental data 10.7 eV at P = 0 GPa and T = 0 K. While, the direct energy gap of BeO as a function of temperature and under different pressures is presented in Figure . We noted that the band gap decreases with the increase of temperature and, in the same time increases with increasing pressure, as shown Figure .…”

Section: Resultssupporting

confidence: 65%

Structural Phase Transition, Electronic, and Mechanical Properties of Beryllium Oxide: Temperature and Pressure‐Induced Effects

Lakel

Elhamra

Almi

2017

Physica Status Solidi (b)

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In this work, we focus on the study of the structural, electronic, and elastic properties of beryllium oxide under the influence of both temperature and pressure. Therein, we use the density functional theory (DFT) and quasi‐harmonic Debye model within the general gradient approximation (GGA). The results show that the enthalpy of BeO with wurtzite structure is lower than that with rocksalt structure at 171.74 GPa. Through our calculations, we deliberated the structural (a and c), electronic (band structure and partial density of states), and elastic properties (elastic constants, shear modulus, bulk modulus, and Young's modulus) at high temperature and under different pressures. In addition, we find that our results are in good agreement with previous experimental and theoretical results at P = 0 GPa and T = 0 K. Our results at high temperature and under different pressures can be considered as a new reference for further investigation.

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“…The fitting procedure was done using the "Mathematica" software. The input optical data have been taken from Palik's handbook [44] for KBr, SiOz, and MgO, from [45] for BeO, from [46] for every compound presented in these tables, one can find a critical energy Eoi, which is close t o the plasmon energy 3,. E, is shifted above the free-electron gas value E, by the e n e r a gap E~ 1301,…”

Section: Loss-function Estimationmentioning

confidence: 99%

Inelastic Electron Interactions in the Energy Range 50 eV to 10 keV in Insulators: Alkali Halides and Metal Oxides

Akkerman

Boutboul

Breskin

et al. 1996

Physica Status Solidi (b)

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Calculations of electron inelastic mean free paths and stopping powers for several alkali halides (KF, KCl, KBr, and KI) and metal oxides (BeO, MgO, SiOZ, and A1203) have been performed in the 50 eV to 10 keV energy range. The complex dielectric formalism, improved to include the energy gap, was used for estimating the valence part of the transport characteristics, whereas the part related to electron-core interactions was evaluated according to Gryzinski's theory. An extended comparison of these calculations with the available experimental data as well as with other theoretical predictions is presented. Trends of the energy dependence of the inelastic mean free path and stopping power in alkali halides are studied. The role of the plasmon deexcitation process as a source for low-energy electrons in secondary electron emission spectra is discussed. The presented data can be used in Monte-Carlo simulations of electron transport in the considered materials.

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Optical properties of amorphous and polycrystalline BeO thin films from electron energy loss measurements

Cited by 25 publications

References 22 publications

Ab Initio Study of the Electronic and Optical Properties of ZnO and BeO: First Principles Calculations

Ab Initio Study of the Electronic and Optical Properties of ZnO and BeO: First Principles Calculations

Structural Phase Transition, Electronic, and Mechanical Properties of Beryllium Oxide: Temperature and Pressure‐Induced Effects

Inelastic Electron Interactions in the Energy Range 50 eV to 10 keV in Insulators: Alkali Halides and Metal Oxides

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