Femtosecond laser induced ultrafast interface dynamics between single layer graphene and quartz substrate: A theoretical study
SiO2 is the most widely used dielectric substrate for graphene devices. Theoretically investigating the interaction between graphene and SiO2 is vitally important for understanding graphene properties and improving device performance. In recent years, density functional theory (DFT) has been used to...
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| Format: | Article |
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AIP Publishing LLC
2025-01-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0244791 |
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| author | Runping Zhao Xia Wang Lei Wang |
| author_facet | Runping Zhao Xia Wang Lei Wang |
| author_sort | Runping Zhao |
| collection | DOAJ |
| description | SiO2 is the most widely used dielectric substrate for graphene devices. Theoretically investigating the interaction between graphene and SiO2 is vitally important for understanding graphene properties and improving device performance. In recent years, density functional theory (DFT) has been used to investigate the graphene–SiO2 interaction in ground states. However, the strong interface dynamics for an excited graphene–SiO2 system in ultrafast nonequilibrium processes was rarely researched. In this work, a real-time time-dependent density functional theory (rt-TDDFT) method was adopted to study the femtosecond laser induced ultrafast structure evolution and the underlying dynamics mechanism of the interface between a single layer graphene and a Si-terminated quartz substrate. This work indicates that rt-TDDFT is a promising method to study the strong electron dynamics and the coupled nuclear dynamics for graphene-SiO2 interfaces under ultrafast optical excitation, which benefits graphene device designs and mechanism analysis. |
| format | Article |
| id | doaj-art-a0cd8f1c5f2a4d72a9369200a94c8126 |
| institution | Kabale University |
| issn | 2158-3226 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj-art-a0cd8f1c5f2a4d72a9369200a94c81262025-02-03T16:40:42ZengAIP Publishing LLCAIP Advances2158-32262025-01-01151015028015028-510.1063/5.0244791Femtosecond laser induced ultrafast interface dynamics between single layer graphene and quartz substrate: A theoretical studyRunping Zhao0Xia Wang1Lei Wang2College of Mathematics and Physics, Shandong Engineering Research Center of New Optoelectronic Information Technology and Devices, QingDao University of Science and Technology, Qingdao 266061, People’s Republic of ChinaSchool of Physics and Technology, University of Jinan, 336 West Road of Nan Xinzhuang, Jinan 250022, Shandong, People’s Republic of ChinaCollege of Mathematics and Physics, Shandong Engineering Research Center of New Optoelectronic Information Technology and Devices, QingDao University of Science and Technology, Qingdao 266061, People’s Republic of ChinaSiO2 is the most widely used dielectric substrate for graphene devices. Theoretically investigating the interaction between graphene and SiO2 is vitally important for understanding graphene properties and improving device performance. In recent years, density functional theory (DFT) has been used to investigate the graphene–SiO2 interaction in ground states. However, the strong interface dynamics for an excited graphene–SiO2 system in ultrafast nonequilibrium processes was rarely researched. In this work, a real-time time-dependent density functional theory (rt-TDDFT) method was adopted to study the femtosecond laser induced ultrafast structure evolution and the underlying dynamics mechanism of the interface between a single layer graphene and a Si-terminated quartz substrate. This work indicates that rt-TDDFT is a promising method to study the strong electron dynamics and the coupled nuclear dynamics for graphene-SiO2 interfaces under ultrafast optical excitation, which benefits graphene device designs and mechanism analysis.http://dx.doi.org/10.1063/5.0244791 |
| spellingShingle | Runping Zhao Xia Wang Lei Wang Femtosecond laser induced ultrafast interface dynamics between single layer graphene and quartz substrate: A theoretical study AIP Advances |
| title | Femtosecond laser induced ultrafast interface dynamics between single layer graphene and quartz substrate: A theoretical study |
| title_full | Femtosecond laser induced ultrafast interface dynamics between single layer graphene and quartz substrate: A theoretical study |
| title_fullStr | Femtosecond laser induced ultrafast interface dynamics between single layer graphene and quartz substrate: A theoretical study |
| title_full_unstemmed | Femtosecond laser induced ultrafast interface dynamics between single layer graphene and quartz substrate: A theoretical study |
| title_short | Femtosecond laser induced ultrafast interface dynamics between single layer graphene and quartz substrate: A theoretical study |
| title_sort | femtosecond laser induced ultrafast interface dynamics between single layer graphene and quartz substrate a theoretical study |
| url | http://dx.doi.org/10.1063/5.0244791 |
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