Create a SCAPS device
scaps_create_deviceCreates a new SCAPS device definition from scratch, building up to seven layers with materials, defects, contacts, and numerical settings, then saves it as a .def file.
Instructions
Build a new device from scratch and save it as a .def file.
A layer may name a .material file ('material': 'CIGSe.material'); its properties apply first and explicit keys override them.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| name | Yes | New definition name, saved in SCAPS def/. | |
| layers | Yes | Layers from the left (back) contact. Each maps set-command suffixes to values, e.g. {'name': 'absorber', 'thickness': 0.5, 'Eg': 1.55, 'chi': 3.9, 'epsilon': 10, 'NC': 2.2e18, 'NV': 1.8e19, 'mun': 2, 'mup': 2, 'NA': 1e15, 'radiative': 1e-11, 'absorption.file': 'material.abs', 'material': 'CIGSe.material', 'defects': [{'singleacceptor': null, 'gauss': null, 'Et': 0.6, 'Ntotal': 1e14, 'capture_cross_section.electron': 1e-15, 'capture_cross_section.hole': 1e-15}]}. Unset properties keep SCAPS defaults; up to 7 defects per layer. | |
| options | No | Other set commands, e.g. {'illumination.fromleft': null, 'numerical.Shockley-Queisser_limit.always': null}. | |
| numerics | No | Numerical settings stored in the .def 'convergence' section, which scripts cannot set, e.g. {'maxiter': 2000, 'clamp_psi': 0.25, 'termination_psi': 1e-4, 'defectdiscretisations': 9}. | |
| overwrite | No | ||
| interfaces | No | Interface defects by interface number (1 lies between layers 1 and 2), up to 3 each, e.g. {1: [{'Ntotal': 1e10, 'singledonor': null}]}. | |
| left_contact | No | e.g. {'workfunction': 5.1, 'Sn': 1e5, 'Sp': 1e7}; a work function switches flat band off. | |
| right_contact | No | As left_contact. |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| notes | Yes | ||
| device | Yes | ||
| run_id | Yes | ||
| definition | Yes |