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Features

The aim of the tiberCAD project is  to provide an integrated multiscale and multiphysics simulation environment capable of coupling different models on different scales in a unified and transparent way.

Usually, the active part of a device, which needs quantum mechanical approaches,  is small compared to the overall simulation domain.
The computational cost of the more accurate quantum mechanical models however forbids their application to the whole device.
It is therefore necessary to adopt a multiscale simulation approach which couples the semi-classical models describing the surroundings of the active region to the continuous or atomistic quantum models acting only on the nanostructured parts of  the device.

Possible applications of tiberCAD range from nanoelectronics  to laser technologies including molecular electronics and bio-devices.
The tool is currently under intense development. Here is a brief  description of  the features of  tiberCAD project.

Structure/device editor:   

  • Tools for creating geometric structures for TCAD simulation, including an extensive  material  database.
  • 1D/2D/3D modeling and meshing (structured and  not ), cylindrical symmetry.
  • support for external meshing  tools (GMSH)
  • built-in atomistic structure generation tool: coupling to the geometric model, several crystal lattices (cubic, hexagonal, fcc, bcc), hydrogen passivation model. 

Multiscale approach:

Quantum, classical, atomistic and continuous descriptions can be used in different regions of a device/nanostructure  within the same simulation; analysys  and  optimization may be  performed  at  all  the  relevant scale  lengths, possibly including self-consistent behaviour.

Physical models:

  • Strain/stress modelization, including pyro- and piezoelectric effects, non-linear strain, converse piezoelectric, external forces
  • Classical Drift-Diffusion particle transport and  Poisson
    calculation, Quantum Current calculation (quantum drift-diffusion,
    Non-Equilibrium Green Function)
  • Electrons, holes and excitons dynamic
  • Heat balance model: electron and  hole  dissipation, microscopical  heat  model
  • Quantum physics for  continuous media, including Envelope  Function Approximation, k.p theory
  • Keating-type Valence Force Field
  • Atomistic quantum description, including a flexible Empirical Tight-Binding model and interface to ab-initio codes
  • Transfer Matrix Method based electromagnetic solver, with internal or external sources
  • Photovoltaic module simulation based on a lumped element description (via ngspice)

Device applications:

  • Electronic devices analysis and design (HEMT, MOSFET, BJT,etc)
  • Nanoelectronic devices (nanoMOSFET, NW-FET, etc.)
  • Molecular and Organic electronics devices (OTFT, OLED, OPV)
  • Optoelectronic Devices (LED, Photodetectors)
  • Solar Cells (Perovskite,  CIGS, DSSC, organic, tandem)
  • Nanostructures (quantum wells, quantum dot,  III/V heterostructures)