TY - JOUR
T1 - Electronic and Optical Properties of CsGeX3(X= Cl, Br, and I) Compounds
AU - Thi Han, Nguyen
AU - Khuong Dien, Vo
AU - Lin, Ming Fa
N1 - Funding Information:
This work was financially supported by the Hierarchical Green-Energy Materials (Hi-GEM) Research Center from The Featured Areas Research Center Program within the framework of the Higher Education Sprout Project by the Ministry of Education (MOE) and the Ministry of Science and Technology (MOST 110-2634-F-006 -017) in Taiwan.
Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
PY - 2022/7/26
Y1 - 2022/7/26
N2 - We used first-principles calculations to investigate the electrical and optical properties of CsGeX3(X = Cl, Br, and I) compounds. These materials present rich and unique physical and chemical phenomena, such as the optimal geometric structure, the electronic band structure, the charge density distribution, and the special van Hove singularities in the electronic density of states. The optical properties cover a slight red shift of the optical gap, corresponding to weak electron-hole interactions, strong absorption coefficients, and weak reflectance spectra. The presented theoretical framework will provide a full understanding of the various phenomena and promising applications for solar cells and other electro-optic materials.
AB - We used first-principles calculations to investigate the electrical and optical properties of CsGeX3(X = Cl, Br, and I) compounds. These materials present rich and unique physical and chemical phenomena, such as the optimal geometric structure, the electronic band structure, the charge density distribution, and the special van Hove singularities in the electronic density of states. The optical properties cover a slight red shift of the optical gap, corresponding to weak electron-hole interactions, strong absorption coefficients, and weak reflectance spectra. The presented theoretical framework will provide a full understanding of the various phenomena and promising applications for solar cells and other electro-optic materials.
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U2 - 10.1021/acsomega.2c02088
DO - 10.1021/acsomega.2c02088
M3 - Article
AN - SCOPUS:85135226440
SN - 2470-1343
VL - 7
SP - 25210
EP - 25218
JO - ACS Omega
JF - ACS Omega
IS - 29
ER -