Abstract: Electronic States in Layered Si/SiO2/MoS2 Nanostructures (2011 SACNAS National Conference)

Saturday, October 29, 2011

Hall 1-2 (San Jose Convention Center)

Luis Luciano , AGMUS institute of mathematics, Universidad Metropolitana, San Juan

Manuel Ramos, PhD , Materials Research and Technology Institute, University of Texas, El Paso, El Paso, TX

Russell Chianelli, PhD , Materials Research and Technology Institute, University of Texas, El Paso, El Paso, TX

Domingo Ferrer, PhD , University of Texas at Austin, Austin, TX

The electronic states of layered Si/SiO₂/MoS₂, as primary material used on next generation of

MOSFET is presented here. All calculations were made by using Density Functional Theory

computational methods, implementing Dmol³ code in order to understand semiconductor activity

in MoS₂. Results from geometrical optimization indicates (101)-MoS₂ planar orientation to be

preferential to interact with SiO₂ and Si (001)-basal planes on both; and bending structure when

(001)-MoS₂ basal plane interacts with (001)-Si and (001)-SiO₂ basal planes; also results on Density of

States calculations indicates that (001)-MoS₂/Si/SiO₂ exhibiting metallic character, and (101)-

MoS₂/Si/SiO₂ a semiconductor behavior with higher band gap when compared to SiGe.