2014/02/03 by Santosh KC, KC, Santosh, Roberto C. Longo +5
Engineering · Physics and Astronomy · #Advancements in Semiconductor Devices and Circuit Design #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Semiconductor materials and devices #Surface and Thin Film Phenomena #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1402.0457
This paper has been withdrawn due to highly confidential information
openalex publication_date 2014/02/03 · arxiv created 2014/02/07 · arxiv updated 2014/02/10 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
Using ab-initio calculations within the framework of Density Functional Theory (DFT), atomic structures and electronic properties of MoS2/HfO2 interface are investigated. The impact of interfacial oxygen concentration on the MoS2/HfO2 interface electronic structure is examined in order to mimic the atomic layer deposition growth at ambient conditions. Then, the effect on band offsets and the thermodynamic stability of those interfaces is investigated and compared with available relevant experimental data. These results seem to indicate that, for a well-prepared interface, the electronic device performance should be better than other interfaces like III-V/high-k due to the absence of interface defect states. However, any unpassivated defects, if present during oxide growth, strongly influence the subsequent electronic properties of the interface.