TY  - JOUR 
AU  - Donetti, Luca
AU  - Márquez González, Carlos
AU  - Navarro Moral, Carlos
AU  - Medina Bailón, Cristina
AU  - Padilla De la Torre, José Luis
AU  - Sampedro Matarín, Carlos
AU  - Gámiz Pérez, Francisco Jesús
PY  - 2022
UR  - https://hdl.handle.net/10481/77265
AB  - In this work, we employ the results of atomistic DFT calculation to extract useful parameters for the simulation of
few-layers MoS2 structures with traditional TCAD tools. In particular, we focus on the charge distribution, which
allows us to obtain...
LA  - eng
PB  - Elsevier
KW  - Density functional theory
KW  - MoS2
KW  - TCAD
KW  - Dielectric constant
KW  - Density of states
TI  - Towards a DFT-based layered model for TCAD simulations of MoS2
DO  - 10.1016/j.sse.2022.108437
ER  -