Structure and electronic properties of 2D transition metal dichalcogenides : first principles study

• Main Author: Gusakova, Julia
• Other Authors: Tay Beng Kang
• Format: Theses and Dissertations
• Language: English
• Published: 2018
• Subjects: DRNTU::Engineering::Electrical and electronic engineering
• Online Access: https://hdl.handle.net/10356/88825; http://hdl.handle.net/10220/46006
• Institution: Nanyang Technological University

Semiconducting transition metal dichalcogenides (TMDs) represent a class of layered materials with nonzero band gap, and as a result attract great attention. Density functional theory (DFT) is a method of choice for theoretical exploration of condensed matter. However, there exists well-known proble...