Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 20, 2020
Previous Article Next Article

Predicted CsSi compound: a promising material for photovoltaic applications

Author affiliations

Abstract

Exploration of photovoltaic materials has received enormous interest for a wide range of both fundamental and applied research. Therefore, in this work, we identify a CsSi compound with a Zintl phase as a promising candidate for photovoltaic material by using a global structure prediction method. Electronic structure calculations indicate that this phase possesses a quasi-direct band gap of 1.45 eV, suggesting that its optical properties could be superior to those of diamond-Si for capturing sunlight from the visible to the ultraviolet range. In addition, a novel silicon allotrope is obtained by removing Cs atoms from this CsSi compound. The superconducting critical temperature (Tc) of this phase was estimated to be of 9 K in terms of a substantial density of states at the Fermi level. Our findings represent a new promising CsSi material for photovoltaic applications, as well as a potential precursor of a superconducting silicon allotrope.

Graphical abstract: Predicted CsSi compound: a promising material for photovoltaic applications

Back to tab navigation

Article information


Submitted
16 Mar 2020
Accepted
30 Apr 2020
First published
30 Apr 2020

Phys. Chem. Chem. Phys., 2020,22, 11578-11582
Article type
Paper

Predicted CsSi compound: a promising material for photovoltaic applications

Y. Du, W. Li, E. Zurek, L. Gao, X. Cui, M. Zhang, H. Liu, Y. Tian, S. Zhang and D. Zhang, Phys. Chem. Chem. Phys., 2020, 22, 11578
DOI: 10.1039/D0CP01440K

Social activity

Search articles by author

Spotlight

Advertisements