Efficient and accurate defect level modeling in monolayer MoS2 via GW+DFT with open boundary conditions

Author:

Gandus GuidoORCID,Lee Youseung,Deuschle Leonard,Passerone Daniele,Luisier Mathieu

Publisher

Elsevier BV

Subject

Materials Chemistry,Electrical and Electronic Engineering,Condensed Matter Physics,Electronic, Optical and Magnetic Materials

Reference14 articles.

1. Chapter 11 - Devices and defects in two-dimensional materials: Outlook and perspectives;Rai,2022

2. Ab initio mobility of single-layer MoS 2 and WS 2: Comparison to experiments and impact on the device characteristics;Lee,2019

3. Substrate screening effects on the quasiparticle band gap and defect charge transition levels in MoS 2;Naik;Phys Rev Mater,2018

4. New method for calculating the one-particle Green’s function with application to the electron-gas problem;Hedin;Phys Rev,1965

5. Efficient partitioning of surface Green’s function: Toward ab initio contact resistance study;Gandus,2020

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