التفاصيل البيبلوغرافية
| العنوان: |
First principle calculation of bulk electronic properties of cubic SrMO3 perovskites (M = Ti, Zr). |
| المؤلفون: |
Daga, Avinash, Sharma, Smita, Sharma, K. S. |
| المصدر: |
AIP Conference Proceedings; Feb2013, Vol. 1512 Issue 1, p1252-1253, 2p, 2 Charts, 4 Graphs |
| مصطلحات موضوعية: |
STRONTIUM compounds, PEROVSKITE, TRANSITION metal oxides, PARAMETER estimation, DENSITY functionals, CHEMISTRY experiments |
| مستخلص: |
For cubic SrMO3 perovskites (M = Ti & Zr) lattice parameter and bulk modulus have been computed using the first principle approach within Density functional theory. By local density approximation (LDA) method, the results have been calculated. It is found that the calculated lattice parameter and bulk modulus for all transition metal oxides are in good agreement with the available experimental data. All these calculations have been carried out using ABINIT computer code. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
