# nextnano³ Tutorials¶

Many of the nextnano++ tutorials have equivalent input files for the nextnano³ software. However, some features are only available in the nextnano³ software, e.g. tight-binding, electrolytes, graphene and mobility calculations.

## Heterostructures¶

## Band structure¶

## Transmission¶

## Electrolyte¶

Unfortunately, many nextnano³ tutorials have not been moved yet to the new Manual.

Here is a list of these old tutorials.

Tutorials indicated by (++) are also available for the nextnano++ software.

Tutorials indicated by (Ma) already moved to the new Manual.

## Quantum Mechanics¶

(++) (Ma) Triangular well

(++) (Ma) Double quantum well

(++) Dispersion in infinite superlattices: Minibands (Kronig-Penney model)

(++) (Ma) Quantum corral (2D)

Artificial atom (3D)

(++) (Ma) Efficient method for the calculation of ballistic quantum transport - The CBR method (2D example)

(++) (Ma) Transmission function - NEGF

(++) (Ma) Transmission through a 3D nanowire (3D)

(++) (Ma) Exciton correction in 1D quantum wells

## Semiconductor Physics¶

(++) (Ma) pn junction

Electron density in doped semiconductors (Si, Ge, GaAs) - Compensated semiconductors

Density in n-doped GaAs - Comparison of classical, quantum, k.p and full-band density k.p approach

(++) Poisson equation (for different charge density profiles)

(++) Schottky barrier

## Strain and Piezoelectricity¶

(++) Strain: Band shifts and splittings due to conduction and valence band deformation potentials

(++) Strain and displacement tensors along different growth directions

Growth of layers on strained (or stressed) substrates (biaxial and uniaxial)

Piezoelectric field in InAs/GaAs QWs grown along the [111] orientation

(++) GaN/AlN wurtzite structure: Strain, piezo and pyroelectric charges in wurtzite

Strain effects in freestanding three-dimensional nitride nanostructures (3D)

## Magnetic field¶

(++) (Ma) Landau levels in bulk GaAs (magnetic field) (2D)

(Ma) Fock-Darwin states of a 2D parabolic potential (magnetic field) (2D)

(Ma) Fock-Darwin states of a 2D parabolic, anisotropic (elliptical) potential in a magnetic field (2D)

Vertically coupled quantum wires in a longitudinal magnetic field (2D)

## Heterostructures¶

(++) Schrödinger equation of a two-dimensional core-shell structure Hexagonal 2DEG - Two-dimensional electron gas in a delta-doped hexagonal shaped GaAs/AlGaAs nanowire heterostructure (2D)

Electron and hole wave functions in a T-shaped quantum wire grown by CEO (cleaved edge overgrowth) (2D)

Electron and hole wave functions in a strained T-shaped quantum wire grown by CEO (cleaved edge overgrowth) (2D)

Nanocrystals (3D)

Artificial quantum dot crystal - Superlattice dispersion (minibands) (3D)

Intermediate-band solar cell (artificial quantum dot crystal) (3D)

(++) Energy levels in a pyramidal shaped InAs/GaAs quantum dot including strain and piezoelectric fields (3D)

Exciton and biexciton correction in idealistic 3D cubic quantum dots (3D)

(++) (Ma) QD molecule (3D)

Cleaved edge overgrowth quantum dots (CEO QDs) (3D)

Hexagonal shaped GaN quantum dot embedded in AlN (wurtzite) (3D)

## k.p¶

(++) k.p dispersion in bulk GaN (strained / unstrained) (wurtzite)

(++) k.p dispersion in bulk unstrained ZnS, CdS, CdSe and ZnO (wurtzite)

(++) k|| energy dispersion of holes in a GaAs/AlAs quantum well - How to modify database parameters in the input file.

(++) k|| energy dispersion of holes in a GaN/AlGaN quantum well

k|| energy dispersion of holes in unstrained and strained silicon inversion layers

Self-consistent 6-band k.p calculations of holes in strained Si/SiGe MOSFETs

(++) Energy dispersion of a cylindrically shaped GaN nanowire (2D)

(++) Artificial atom (Si QD) - 6-band k.p (3D)

Single-band is a special case of 8-band k.p if the electrons are decoupled from the holes

Self-consistent calculation of the quantum mechanical density within the single-band approximation and 8-band k.p

Calculation of the quantum mechanical density from the k.p dispersion (no self-consistency)

2D Tutorial of the 1D tutorial: Single-band (‘effective-mass’) is a special case of 8-band k.p (‘8x8kp’) if the electrons are decoupled from the holes (2D)

Calculating the quantum mechanical density within the single-band approximation and 8-band k.p self-consistently

Calculation of the quantum mechanical density from the k.p dispersion (no self-consistency)

## T2SL¶

(++) InAs / In0.4Ga0.6Sb superlattice dispersion with 8-band k.p (type-II band alignment)

(++) InAs / GaSb broken gap quantum well (BGQW) (type-II band alignment)

HgTe/CdTe quantum well (available on request; \(\mathbf{k} \cdot \mathbf{p}\) and tight-binding)

## 2DEGs¶

(++) (Ma) Schrödinger-Poisson

(++) HEMT structure (High Electron Mobility Transistor)

(++) Two-dimensional electron gas in an AlGaN/GaN field effect transistor

(++) Single-electron transistor (3D)

## Optoelectronics¶

(++) (Ma) Cascade solar cell (AlGaAs/InGaAs Tandem solar cell)

(++) (Ma) Quantum Cascade Laser (simple structure)

(++) (Ma) Intersubband transitions in InGaAs/AlInAs multiple quantum well systems

(++) Scattering times for electrons in unbiased and biased single and multiple quantum wells

## Electronics¶

(++) (Ma) Capacitance-Voltage (C-V) curve of a “metal”-insulator-semiconductor (MIS) structure

p-Si / SiO2 / poly-Si structure (MOSFET with inversion channel due to applied gate voltage)

(++) n-i-n Si resistor (classical and quantum mechanical current calculation)

(++) Ultrathin-body Double Gate FET - Double Gate MOSFET (Metal Oxide Semiconductor Field Effect Transistor) (2D)

Double Gate MOSFET (5 nm) (quantum mechanical calculation) (2D)

(Ma) Electron wave functions of a 2D slice of a Triple Gate MOSFET (2D)

## Electrolyte¶

for e.g. Ion-Sensitive Field Effect Transistors (ISFETs)

## Hello World¶

Simple SiGe structure (This is a very ancient tutorial and was written 20 years ago. Meanwhile the software has evolved.)

Step 1: Simple SiGe structure (input_file1.in)

Step 2: Include current (input_file2.in)

Step 3: Include quantum models (1-band Schrödinger equation) (input_file3.in)

Step 4: Read in data and solve k.p (input_file4.in)

Four example input files are provided in this tutorial which represent typical simulation settings that are connected to each other. These files contain extensive comments to guide you through your first experience with the input system.