1. Electronic structure modification in two-dimensional pentagonal PdS2 by external strain.
- Author
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Sharma, Mridu and Singh, Ranber
- Subjects
- *
ELECTRONIC structure , *BAND gaps , *VALENCE bands , *CONDUCTION bands , *SEMICONDUCTORS - Abstract
We investigated the electronic structure modifications in two-dimensional (2D) pentagonal PdS2 materials by external strains. In the absence of external strain, the 2D pentagonal PdS2 materials are indirect band gap semiconductors. The band gap decreases with an increase in the number of stacking PdS2 monolayers. The external uniaxial and biaxial strains significantly modify the contributions of p-orbitals of S atoms and d-orbitals of Pd atoms to the conduction and valence band edges. It consequently modifies the electronic structures of 2D pentagonal PdS2 materials. This strain tunability of electronic structures of 2D pentagonal PdS2 materials may be useful for their electro-mechanical applications. [ABSTRACT FROM AUTHOR]
- Published
- 2021
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