Amritanshu Palaria

Overview (surface and strain effects in nanostructures)

Overview (surface and strain effects in nanostructures) Amritanshu Palaria, Alejandro Strachan, Gerhard Klimeck

Methods employed/ developed: density functional theory, reactive force-field molecular dynamics, modified tight binding

Structure and Properties of ~1 nm diameter silicon nanowires

  • Goal: exploration of new materials, solar cells, thermoelectrics, sensors, CMOS scaling, batteries

  • energetically most stable wires (2 categories)
  • tubelike: non-bulk geometries
  • new bandgap ranges, unique properties
  • surfaces => structural symmetry => properties

Electrical properties of Si-Ge-Si bars

  • Goal: high performance electronics

  • inhomogeneous strain: reduced hole effective mass
  • bandgaps between homogeneous uniaxial and biaxial strains

Adaptive tight binding

  • Goal: nanoelectronics (modified bonding), defects/ scattering in large systems

  • modified TB parameters for surface atoms => good match with GW

Powerpoint slide as pdf or as image below.

Amrit Palaria's Pages

Biography Overview (surface and strain effects in nanostructures) Geometry morphology and properties of 1 nm silicon nanowires from DFT and MD Adapting tight binding for non-bulk bonds Electronic properties of Si-Ge-Si heterostructures from tight binding Nano-material tools/ codes on nanoHUB

Research Group

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