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Full-Text Articles in Materials Science and Engineering
Mos2 Functionalization For Ultra-Thin Atomic Layer Deposited Dielectrics, Angelica Azcatl, Stephen Mcdonnell, Santosh Kc, Xin Peng, Hong Dong, Xiaoye Qin, Rafik Addou, Greg Mordi, Ning Lu, Jiyoung Kim, Moon Kim, Kyeongjae Cho, Robert Wallace
Mos2 Functionalization For Ultra-Thin Atomic Layer Deposited Dielectrics, Angelica Azcatl, Stephen Mcdonnell, Santosh Kc, Xin Peng, Hong Dong, Xiaoye Qin, Rafik Addou, Greg Mordi, Ning Lu, Jiyoung Kim, Moon Kim, Kyeongjae Cho, Robert Wallace
Faculty Publications
The effect of room temperature ultraviolet-ozone (UV-O3) exposure of MoS2 on the uniformity of subsequent atomic layer deposition of Al2O3 is investigated. It is found that a UV-O3 pre-treatment removes adsorbed carbon contamination from the MoS2 surface and also functionalizes the MoS2 surface through the formation of a weak sulfur-oxygen bond without any evidence of molybdenum-sulfur bond disruption. This is supported by first principles density functional theory calculations which show that oxygen bonded to a surface sulfur atom while the sulfur is simultaneously back-bonded to three molybdenum atoms is a thermodynamically favorable configuration. The adsorbed oxygen increases the reactivity of …
Electronic Properties Of Inp (001)/Hfo2 (001) Interface: Band Offsets And Oxygen Dependence, Santosh Kc
Electronic Properties Of Inp (001)/Hfo2 (001) Interface: Band Offsets And Oxygen Dependence, Santosh Kc
Faculty Publications
Using ab-initio methods, atomic structures and electronic properties of InP (001)/HfO2 (001) interface are studied within the framework of density functional theory. We examine the InP/HfO2 model interface electronic structures under varying oxidation conditions. The effects of indium and phosphorous concentrations on interfacial bonding, defect states, band offsets, and the thermodynamic stability at the interface are also investigated. The origin of interfacial gap states in InP (001)/HfO2 (001) interface are proposed, mainly from the P-rich oxides, which is validated by our experimental work. This highlights the importance of surface passivation prior to high-κ deposition based on the in situ spectroscopic …