In the present manuscript, electronic and mechanical properties of a series of ABO3 (A→ alkaline earth metals, B→ transition metal) perovskites are presented. Using the plasma oscillation theory of solids, empirical relations are proposed for computation of the homopolar/ covalent gap (Eh) and heteropolar/ ionic gap (Ec) of the chemical bonds A-O and B-O in the cubic phase of ABO3 perovskites. To examine the validity of our calculated results, the average energy gap (Eg), Phillips ionicity (fi) and covalence (fc) of the chemical bonds of these perovskites are investigated. The dielectric constant (ε∞) and refractive index (n) are computed and the results obtained are analyzed in comparison to results obtained by different researchers and these are found in fairly good agreement. Electronic polarizability (αtotal) was calculated through a well-known phenomenological Clausius-Mossotti relation and the values were found in accord with the results obtained from the Chemla’s relation. Further, a simple Neumann scaling approach has been employed to estimate the bulk modulus of these materials using the Phillips ionicity model. Present estimations are found in excellent agreement with the available experimental reports as compared to other such previous theoretical reports. This report supports the composition of new perovskites and hereto perceives their other properties for optoelectronics, photonics, mechanical and thermoelectric devices.
| Published in | American Journal of Physics and Applications (Volume 11, Issue 4) |
| DOI | 10.11648/j.ajpa.20231104.11 |
| Page(s) | 80-88 |
| Creative Commons |
This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
| Copyright |
Copyright © The Author(s), 2023. Published by Science Publishing Group |
Perovskites, Electronic Properties, Mechanical Properties, Plasma Energy
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APA Style
Yadav, N., Singh Yadav, D., Varshney, P., Chandra Gupta, R. (2023). Electronic and Mechanical Properties of Chemical Bonds (A-O & B-O) in Cubic Phase A+2B+4O3 Perovskite Oxides. American Journal of Physics and Applications, 11(4), 80-88. https://doi.org/10.11648/j.ajpa.20231104.11
ACS Style
Yadav, N.; Singh Yadav, D.; Varshney, P.; Chandra Gupta, R. Electronic and Mechanical Properties of Chemical Bonds (A-O & B-O) in Cubic Phase A+2B+4O3 Perovskite Oxides. Am. J. Phys. Appl. 2023, 11(4), 80-88. doi: 10.11648/j.ajpa.20231104.11
AMA Style
Yadav N, Singh Yadav D, Varshney P, Chandra Gupta R. Electronic and Mechanical Properties of Chemical Bonds (A-O & B-O) in Cubic Phase A+2B+4O3 Perovskite Oxides. Am J Phys Appl. 2023;11(4):80-88. doi: 10.11648/j.ajpa.20231104.11
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Download@article{10.11648/j.ajpa.20231104.11,
author = {Niharika Yadav and Dhirendra Singh Yadav and Preeti Varshney and Rajesh Chandra Gupta},
title = {Electronic and Mechanical Properties of Chemical Bonds (A-O & B-O) in Cubic Phase A+2B+4O3 Perovskite Oxides},
journal = {American Journal of Physics and Applications},
volume = {11},
number = {4},
pages = {80-88},
doi = {10.11648/j.ajpa.20231104.11},
url = {https://doi.org/10.11648/j.ajpa.20231104.11},
eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ajpa.20231104.11},
abstract = {In the present manuscript, electronic and mechanical properties of a series of ABO3 (A→ alkaline earth metals, B→ transition metal) perovskites are presented. Using the plasma oscillation theory of solids, empirical relations are proposed for computation of the homopolar/ covalent gap (Eh) and heteropolar/ ionic gap (Ec) of the chemical bonds A-O and B-O in the cubic phase of ABO3 perovskites. To examine the validity of our calculated results, the average energy gap (Eg), Phillips ionicity (fi) and covalence (fc) of the chemical bonds of these perovskites are investigated. The dielectric constant (ε∞) and refractive index (n) are computed and the results obtained are analyzed in comparison to results obtained by different researchers and these are found in fairly good agreement. Electronic polarizability (αtotal) was calculated through a well-known phenomenological Clausius-Mossotti relation and the values were found in accord with the results obtained from the Chemla’s relation. Further, a simple Neumann scaling approach has been employed to estimate the bulk modulus of these materials using the Phillips ionicity model. Present estimations are found in excellent agreement with the available experimental reports as compared to other such previous theoretical reports. This report supports the composition of new perovskites and hereto perceives their other properties for optoelectronics, photonics, mechanical and thermoelectric devices.
},
year = {2023}
}
TY - JOUR T1 - Electronic and Mechanical Properties of Chemical Bonds (A-O & B-O) in Cubic Phase A+2B+4O3 Perovskite Oxides AU - Niharika Yadav AU - Dhirendra Singh Yadav AU - Preeti Varshney AU - Rajesh Chandra Gupta Y1 - 2023/11/09 PY - 2023 N1 - https://doi.org/10.11648/j.ajpa.20231104.11 DO - 10.11648/j.ajpa.20231104.11 T2 - American Journal of Physics and Applications JF - American Journal of Physics and Applications JO - American Journal of Physics and Applications SP - 80 EP - 88 PB - Science Publishing Group SN - 2330-4308 UR - https://doi.org/10.11648/j.ajpa.20231104.11 AB - In the present manuscript, electronic and mechanical properties of a series of ABO3 (A→ alkaline earth metals, B→ transition metal) perovskites are presented. Using the plasma oscillation theory of solids, empirical relations are proposed for computation of the homopolar/ covalent gap (Eh) and heteropolar/ ionic gap (Ec) of the chemical bonds A-O and B-O in the cubic phase of ABO3 perovskites. To examine the validity of our calculated results, the average energy gap (Eg), Phillips ionicity (fi) and covalence (fc) of the chemical bonds of these perovskites are investigated. The dielectric constant (ε∞) and refractive index (n) are computed and the results obtained are analyzed in comparison to results obtained by different researchers and these are found in fairly good agreement. Electronic polarizability (αtotal) was calculated through a well-known phenomenological Clausius-Mossotti relation and the values were found in accord with the results obtained from the Chemla’s relation. Further, a simple Neumann scaling approach has been employed to estimate the bulk modulus of these materials using the Phillips ionicity model. Present estimations are found in excellent agreement with the available experimental reports as compared to other such previous theoretical reports. This report supports the composition of new perovskites and hereto perceives their other properties for optoelectronics, photonics, mechanical and thermoelectric devices. VL - 11 IS - 4 ER -
Department of Physics, Chaudhary Charan Singh P G College Heonra (Saifai), Etawah, India
