Theoretical Investigations of Quaternary Semiconductors CsInCdTe3 (Ln = La, Pr, Nd and Sm)
| Autor: | Ijaz Ahmad, Iftikhar Ahmad, Imad Khan, Izaz Ul Haq, Akbar Ali, Zahid Ali |
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| Rok vydání: | 2020 |
| Předmět: |
010302 applied physics
Materials science Solid-state physics Condensed matter physics Band gap business.industry 02 engineering and technology Dielectric 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Electronic Optical and Magnetic Materials Bond length Lattice constant Semiconductor 0103 physical sciences Thermoelectric effect Materials Chemistry Density functional theory Electrical and Electronic Engineering 0210 nano-technology business |
| Zdroj: | Journal of Electronic Materials. 49:3357-3366 |
| ISSN: | 1543-186X 0361-5235 |
| DOI: | 10.1007/s11664-020-08048-3 |
| Popis: | Structural, electronic, optical and thermoelectric properties of quaternary semiconductor materials CsLnCdTe3 (Ln = La, Pr, Nd and Sm) are investigated using density functional theory. Structural parameters such as lattice constants, bulk modulii and bond lengths are found to be consistent with experimental data. The calculated electronic energy band gaps of CsLaCdTe3, CsPrCdTe3, CsNdCdTe3 and CsSmCdTe3 are 1.55 eV, 1.12 eV, 1.23 eV and 1.08 eV. Band gap energies of these compounds exhibit an obvious redshift compared to the base material CdTe (1.59 eV). The optical parameters reveal that these compounds are good dielectric materials. The Seebeck effect, electrical and thermal conductivities and power factor reveal that these compounds are p-type semiconductors. |
| Databáze: | OpenAIRE |
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