硒化銦-石墨烯異質結構電導的第一原理研究
| dc.contributor | 關肇正 | zh_TW |
| dc.contributor | 陳穎叡 | zh_TW |
| dc.contributor | Kaun, Chao-Cheng | en_US |
| dc.contributor | Chen, Yiing-Rei | en_US |
| dc.contributor.author | 蔡晴羽 | zh_TW |
| dc.contributor.author | Cai, Sylvia Qingyu | en_US |
| dc.date.accessioned | 2019-09-05T02:10:58Z | |
| dc.date.available | 2024-06-24 | |
| dc.date.available | 2019-09-05T02:10:58Z | |
| dc.date.issued | 2019 | |
| dc.description.abstract | 這項研究是針對一系列由單層硒化銦（SL-InSe）和單層石墨烯（SLG）組成的凡德瓦異質結構所進行的第一原理研究。研究過程中，依照硒化銦與石墨烯層間不匹配（Mismatch）的邊界形貌將一系列異質結構量子元件劃分成兩類，以探究其性質差異並進行計算。 本研究關注的是硒化銦-石墨烯異質結構的量子傳輸特性，所有計算模擬的理論基礎結合了密度泛函理論（DFT）與Keldysh非平衡格林函數（NEGF）理論。進階的量子傳輸計算由Nanodcal完成，Nanodcal是一種基於NEGF-DFT理論方法的計算工具，本研究中使用的所有建模與計算工具包括：VASP，VESTA，Device Studio和Nanodcal。研究結果呈現出所選系列中硒化銦-石墨烯異質結構的量子傳輸趨勢。 | zh_TW |
| dc.description.abstract | This research is demonstrated for a ab initio study on a series of few-layered van der Waals heterostructures composed of single-layer (SL) indium selenide (InSe) and single-layer Graphene (SLG). The series of SL-InSe/SLG heterostructures contains two groups of bi-layer mismatched InSe-Graphene heterojunctions. This study focus on quantum transport properties of InSe-Graphene heterojunctions, and all calculations are based on density functional theory (DFT) simulations combined with the Keldysh non-equilibrium Green's function (NEGF) method. Advanced transport calculations are done by Nanodcal, a powerful tool based on NEGF-DFT, and all computational tools used in this study include VASP, VESTA, Device Studio, and Nanodcal. Our results highlight the tendency of quantum transport in each kind of bi-layer InSe-Graphene heterostructures. | en_US |
| dc.description.sponsorship | 物理學系 | zh_TW |
| dc.identifier | G060541040S | |
| dc.identifier.uri | http://etds.lib.ntnu.edu.tw/cgi-bin/gs32/gsweb.cgi?o=dstdcdr&s=id=%22G060541040S%22.&%22.id.& | |
| dc.identifier.uri | http://rportal.lib.ntnu.edu.tw:80/handle/20.500.12235/102525 | |
| dc.language | 英文 | |
| dc.subject | 硒化銦 | zh_TW |
| dc.subject | 石墨烯 | zh_TW |
| dc.subject | 二維材料 | zh_TW |
| dc.subject | 異質結構 | zh_TW |
| dc.subject | 量子傳輸 | zh_TW |
| dc.subject | 奈米元件 | zh_TW |
| dc.subject | 第一原理計算 | zh_TW |
| dc.subject | 密度泛函理論 | zh_TW |
| dc.subject | 非平衡格林函數理論 | zh_TW |
| dc.subject | Indium Selenide | en_US |
| dc.subject | Graphene | en_US |
| dc.subject | 2D Materials | en_US |
| dc.subject | Heterostructures | en_US |
| dc.subject | Quantum Transport | en_US |
| dc.subject | Nanodevices | en_US |
| dc.subject | Ab Initio Calculations | en_US |
| dc.subject | DFT | en_US |
| dc.subject | NEGF | en_US |
| dc.title | 硒化銦-石墨烯異質結構電導的第一原理研究 | zh_TW |
| dc.title | Conductance of InSe-Graphene Heterostructures: Ab Initio Studies | en_US |