2. nextnano++

nextnano++ is a Schrödinger-Poisson-current solver and simulates quantum wells, quantum wires, quantum dots, … nextnano++ (written in C++) is the successor of the nextnano³ code (written in Fortran).

nextnano++ features include:

• includes group IV materials (Si, Ge, SiGe) and all III-V materials, its ternaries and quaternaries;

• the nitrides are available in the zinc blende and wurtzite crystal structure

• flexible structures and geometries (1D, 2D and 3D)

• fully quantum mechanical electronic structure, based on the 8-band \(\mathbf{k} \cdot \mathbf{p}\) model

• strain, piezo- and pyroelectric charges

• growth directions along [001], [011], [111], [211], … in short along any crystallographic direction

• equilibrium and non-equilibrium, calculation of current close to equilibrium (semi-classical)

• magnetic fields

This tool is documented in following sections:

• 2.1. Overview
  • 2.1.1. Running
  • 2.1.2. Input file
  • 2.1.3. Output
  • 2.1.4. Examples
  • 2.1.5. Material database
• 2.2. Models
  • 2.2.1. Hamiltonian: 8-band model for zincblende
  • 2.2.2. Introduction to strain calculation
  • 2.2.3. 1D - Piezoelectricity in wurtzite
  • 2.2.4. General scheme of the optical device analysis
  • 2.2.5. Mobility
• 2.3. Material Database
  • 2.3.1. Introduction to Material Database
  • 2.3.2. Defining New Materials
  • 2.3.3. Interpolation Schemes
  • 2.3.4. Default Materials and Alloys
  • 2.3.5. Definition of Band Offsets (zincblende)
• 2.4. Applications
• 2.5. Tutorials
  • 2.5.1. Basics
  • 2.5.2. Education
  • 2.5.3. Solar Cells
  • 2.5.4. Light-Emitting Diodes
  • 2.5.5. Quantum Wells
  • 2.5.6. Quantum Wires
  • 2.5.7. Quantum Dots
  • 2.5.8. Electronic Band Structures
  • 2.5.9. Superlattices
  • 2.5.10. Cascade Structures
  • 2.5.11. Optical Spectra and Transitions
  • 2.5.12. 2DEGs & Conductance
  • 2.5.13. Transistors
  • 2.5.14. Magnetic Effects
  • 2.5.15. Numerics
  • 2.5.16. Tricks & Hacks
• 2.6. Keywords
  • 2.6.1. classical{}
  • 2.6.2. contacts{}
  • 2.6.3. currents{} (optional)
  • 2.6.4. database{} (optional)
  • 2.6.5. global{}
  • 2.6.6. grid{}
  • 2.6.7. import{} (optional)
  • 2.6.8. impurities{} (optional)
  • 2.6.9. optics{} (optional)
  • 2.6.10. output{} (optional)
  • 2.6.11. poisson{} (optional)
  • 2.6.12. quantum{} (optional)
  • 2.6.13. run{}
  • 2.6.14. strain{} (optional)
  • 2.6.15. structure{}
  • 2.6.16. postprocessor{} (optional)
• 2.7. Input Syntax
  • 2.7.1. General
  • 2.7.2. Variables
  • 2.7.3. Comments
  • 2.7.4. Conditional Statements
  • 2.7.5. Data section
  • 2.7.6. Operators and functions
  • 2.7.7. Debug statements
  • 2.7.8. Groups and attributes
  • 2.7.9. XML Tags
  • 2.7.10. Additional Examples and Remarks
• 2.8. Simulation Output
  • 2.8.1. Error handling with log file
• 2.9. Command Line
• 2.10. Maximizing Performance