| Autor: |
Soni, Kumavat, Jain, Vishal, Lakshmi, N., Sharma, Veerendra K., Prajapat, C. L., Yusuf, S. M. |
| Předmět: |
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| Zdroj: |
AIP Conference Proceedings; 2020, Vol. 2265 Issue 1, p1-4, 4p |
| Abstrakt: |
Structural, electronic and optical properties of CsPbBr3 perovskite semiconductor and its surface structure in (001) growth direction with different thicknesses were analyzed through first principle calculations using density functional theory implemented in the WIEN2k code. PBE-sol exchange correlation functions along with modified Becke Johnson exchange potential (mBJ-GGA) were used for the calculations since mBJ gives results matching closer to the experimental value of band gap. Lattice constant, density of states (DOS) and band gap were calculated. CsPbBr3 bulk and surfaces with thicknesses ~11 and 22 bohrexhibit a direct band gap of 2.05 eV, 1.6 eV and 1.57 eV respectively. The reflectivities of surfaces are comparatively less than the bulk in the UV to IR range. Optical properties of perovskite CsPbBr3 and its surfaces, computed in terms of dielectric constant, refractive index and absorption coefficientdemonstrate that absorption is high in visible and ultraviolet regions of electromagnetic spectrum thereby making it suitable for optoelectronic, photonic and solar cell applications. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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