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Ohmic Contact Fabrication Using a Focused-ion Beam Technique and Electrical Characterization for Layer Semiconductor Nanostructures
Published on: December 5, 2015
Density functional theory insights into the structural, energetic, and mechanical properties of MoS2and
Gabriel Dantas1, H W Leite Alves1
1Departamento de Ciências Naturais, Universidade Federal de São João Del Rei, Caixa Postal 110, 36300-000 São João Del Rei, MG, Brazil.
Abstract:
We investigate the structural, energetic, and mechanical properties of MoS2and MoSe2polytypes using density functional theory within the generalized gradient approximation, including van der Waals corrections. The relative stability of different stacking configurations is analyzed, and the influence of hydrostatic and uniaxial strain on structural parameters is systematically explored. Particular attention is given to the role of anisotropic stress conditions in layered transition metal dichalcogenides. The results provide insights into the interplay between interlayer interactions and mechanical response, offering a consistent framework to interpret experimental observations and predict phase stability under pressure.
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