| Autor: |
Karil, Poornima, Karma, Nikita, Choudhary, K. K., Kaurav, Netram |
| Předmět: |
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| Zdroj: |
AIP Conference Proceedings; 2020, Vol. 2224 Issue 1, p030002-1-030002-5, 5p |
| Abstrakt: |
We have carried out structural and elastic propertiesof Gallium Phosphide (GaP) semiconducting compound. For this Purpose, we used effective inter-ionic potential method, which consist of the long-range Coulomb and van der Waals (vdW) interactions and the short-range repulsive interaction of up to second-neighbor ions within the Hafemeister and Flygare approach. First, we used the Slater-Kirkwood variational method to estimate the vdW coefficients. The estimated value of the phase transition pressure (Pt) is 26GPa for B3(ZnS) type phase structure to B1(NaCl) type phase structure, which is agreeing with the experimental and theoretical reported data. We have also predicted the elastic properties of GaP compound within the effective inter-ionic potential approach. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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