materialscloud:2026.131
Published July 9, 2026 | Version v1
Dataset Open

Defect-tolerant carrier injection in MoS2 enabled by recessed Ti contacts

Creators

  • 1. A*STAR Institute for Advanced Intelligence and Computing, Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, \#16-16 Connexis, Singapore 138632, Republic of Singapore

* Contact person

Description

Contact variability remains a major obstacle for scaled two-dimensional transistors, but the extent to which contact geometry can control defect sensitivity remains unclear. This dataset supports a first-principles comparison of top and recessed Ti-MoS2 contacts under a common ordered sulfur-vacancy sequence. The deposited data include VASP POSCAR-format atomic structures generated from NanoDCAL device geometries, the corresponding NanoDCAL SCF input files used as structure sources, and processed metadata tables documenting vacancy coordinates, contact geometries, convergence status and Schottky-barrier-height extraction. These data support the manuscript conclusion that recessed Ti contacts strongly reduce vacancy-position-dependent carrier-injection-barrier variation in MoS2 relative to conventional top contacts.

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