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TDDFT studies on effects of the size on optoelectronic properties of 2D germanene sheets

المؤلفBhandari, A.
المؤلفAlfalah, S.
المؤلفHassan, W.M.I.
المؤلفAl-Hashimi, N.
المؤلفPatil, S.
المؤلفNekovei, R.
المؤلفVerma, A.
تاريخ الإتاحة2020-09-10T10:45:18Z
تاريخ النشر2017
اسم المنشور2017 IEEE 17th International Conference on Nanotechnology, NANO 2017
المصدرScopus
معرّف المصادر الموحدhttp://dx.doi.org/10.1109/NANO.2017.8117320
معرّف المصادر الموحدhttp://hdl.handle.net/10576/16027
الملخصWe report on the TDDFT calculations of the effect of the size on the optoelectronic properties of germanene sheets. Five structures of germanene were considered. All structures were optimized and their electronic and optical properties are studied using B3LYP functional with 6-31G basis set. Frequency and energy calculations were carried out to yield the Density of States (DOS), IR and UV-VIS spectra. It was seen that the structures had size tunable spectral response in the ultraviolet spectrum. The wavelengths vary from 225 nm to 310 nm as the sheet size increases. 1 2017 IEEE.
راعي المشروعThis publication was made possible by the NPRP award [NPRP 5-968-2-403] from the Qatar National Research Fund (a member of The Qatar Foundation). The statements made herein are solely the responsibility of the authors. The authors acknowledge the generous research computing support through the use of the supercomputer Stampede from the Texas Advanced Computing Center (TACC) at The University of Texas at Austin through Texas A and M University - Kingsville.
اللغةen
الناشرInstitute of Electrical and Electronics Engineers Inc.
الموضوعSilicene
Silver-111
Topological Insulators
العنوانTDDFT studies on effects of the size on optoelectronic properties of 2D germanene sheets
النوعConference Paper
الصفحات921-924


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