Title :
Single layer MoS2 band structure and transport
Author :
Salmani-Jelodar, Mehdi ; Tan, Yaohua ; Klimeck, Gerhard
Author_Institution :
Sch. of Electr. & Comput. Eng. & Network for Comput. Nanotechnol., Purdue Univ., West Lafayette, IN, USA
Abstract :
In this work, monolayer MoS2 band structure was studied by LDA+GW and the effective masses and dielectric constant were extracted. The effective mass was used to model a short channel FET device. The simulated transport characteristics are similar to previously reported results even though our improved model indicates a heavier effective mass and higher valley degeneracy factor. The large band gap in this 2D material and high ION/IOFF ratio in nominal and fabricated devices make it worthy to explore this material for device applications. More precise band structure is required to have a better understanding about this material. The band structure could be more precisely obtained by using larger mesh size and higher cut-off energy for plane wave expansions. More sophisticated device transport simulations tight binding model would be required to capture the confinement effects.
Keywords :
band structure; density functional theory; effective mass; field effect transistors; molybdenum compounds; permittivity; semiconductor device models; tight-binding calculations; 2D material; LDA+GW; MoS2; band structure; confinement effects; cut-off energy; dielectric constant; effective masses; mesh size; plane wave expansions; short channel FET device; simulated transport characteristics; sophisticated device transport simulations; tight binding model; valley degeneracy factor; Approximation methods; Computational modeling; Effective mass; Logic gates; Materials; Photonic band gap; Transistors;
Conference_Titel :
Semiconductor Device Research Symposium (ISDRS), 2011 International
Conference_Location :
College Park, MD
Print_ISBN :
978-1-4577-1755-0
DOI :
10.1109/ISDRS.2011.6135408
