Multi-junction solar cells are devices composed of many layers of diverse materials with varying physical properties.
Understanding the operation and design of such devices is challenging because of this diversity. To support these efforts,
the computer modeling and simulation study is an essential tool. The principles of two main steps in a study, conceptual
modeling and simulation modeling, are presented to show their importance in dealing with many materials and their
properties. Conceptual modeling deals with establishing physical mathematical models representing the physics of
material behaviour. The physical models have parameters whose values are dependent on the material; often parameter
models are required to establish the parameter values. Simulation models are the representation of these conceptual
models within software. Examining the Sentaurus software products shows that many conceptual models are integrated
within the software; proper selection of physical models must be made and parameters defined for the materials used in
the device being studied. When considering new materials for improving solar cell design, typically only parameters are
set for existing physical models, but it is sometimes necessary to revise the models and modify such software. Band gap
modeling of dilute nitrides, in particular InGaAsN demonstrates the importance of considering conceptual modeling and
how software must be capable of adapting new simulation physical and parameter models.
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