Introduction

The Device Builder is HQS' solution for simulating large-scale devices at the microscopic level. It uses the Slater-Koster tight-binding approach to describe the electronic structure of devices of millions of atoms, perfectly suited to study (random) alloys, for example. Based on simple characteristics of the device, e.g., the distribution profile of a random alloy and external gate potentials and or magnetic fields, it provides highly efficient implementations for the Hamiltonian of the device.

Applications

The Hamiltonian operators provided by the Device Builder are perfectly suited to inter-operate with other HQS software components for addressing question from materials science, for example Qolossal to study optical and electronic properties of devices at the nano- to microscale.

Getting started

To install the Device Builder simply run

hqstage install device-builder

Have a look at the examples section for ideas on how to get started using the Device Builder and hints about setting up HQStage

Features

The Device Builder provides the following functionalities:

• Hamiltonian and velocity operators based on Slater-Koster parameters
• Memory-efficient implementations of the Hamiltonian and velocity operators for large systems.
• GPU-accelerated implementation of the Hamiltonian and velocity operators.
• Support for electric and magnetic fields and harmonic confinement potential.
• Database of Slater-Koster parameters.

For an overview over classes and functions provided by the device builder have a look at the API documentation