Interfacial Interaction between HfO2 and MoS2: From Thin Films to Monolayer

Please use this identifier to cite or link to this item: https://ir.lib.ncu.edu.tw/handle/987654321/105077

Title:	Interfacial Interaction between HfO2 and MoS2: From Thin Films to Monolayer
Authors:	森馬丁;Yang, Ming;Chai, Jian Wei;Callsen, Martin;Zhou, Jun;Yang, Tong;Song, Ting Ting;Pan, Ji Sheng;Chi, Dong Zhi;Feng, Yuan Ping;Wang, Shi Jie
Contributors:	理學院物理學系
Keywords:	dielectrics;electronic equipment;endothermy;oxygen;physical chemistry
Date:	2016-05-12
Issue Date:	2026-04-23 12:06:30 (UTC+8)
Publisher:	American Chemical Society
Abstract:	摘要： The interfacial interaction between high-κ dielectrics and two-dimensional channel materials plays an important role in determining electronic properties of high-performance electronic devices. In this study, via first-principles calculations, we show that the interaction between oxygen-terminated HfO2 (111) and the MoS2 monolayer is weak and dominated by the van der Waals force. This weak interaction results in symmetric band offsets which are larger than 1 eV. The presence of oxygen vacancies in HfO2 enhances the interfacial interaction significantly, leading to electron–hole puddles, larger effective masses, and localized midgap states in the MoS2. In contrast, strong interaction is found at the interface of hafnium-terminated HfO2 (111) and the MoS2 monolayer, but it results in inferior electronic properties. In addition, when the thickness of MoS2 increases, the formation of an oxygen-terminated HfO2 thin film on MoS2 becomes endothermic accompanied by asymmetrically increased band offsets due to reduced band gaps of MoS2 thin films. Our results reveal surface- and thickness-dependent interfacial interaction between a high-κ dielectric and a two-dimensional material and might shed light on the integration of high-κ dielectrics into two-dimensional materials based electronic devices. 其他題名： J. Phys. Chem. C 出版者： American Chemical Society 出版日期： 2016-05-12 出處： Journal of physical chemistry. C, 2016-05, Vol.120 (18), p.9804-9810 資源來源： American Chemical Society Journals 版權： Copyright © 2016 American Chemical Society 識別號： ISSN: 1932-7447 識別號： ISSN: 1932-7455 識別號： EISSN: 1932-7455 識別號： DOI: 10.1021/acs.jpcc.6b01576
Appears in Collections:	[Department of Physics] journal & Dissertation

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