General
ComponentConcentration¶
description: The concentration of a component in a mixed material.
inherits from: nomad.datamodel.metainfo.basesections.v1.PureSubstanceComponent
properties:
| name | type | |
|---|---|---|
| theoretical_concentration | float |
The concentration planned for the component.unit=mole / liter |
| effective_concentration | float |
The concentration calculated from the component moles and total volume.unit=mole / liter |
normalization:
If none is set, the normalizer will set the name of the component to be the molecular formula of the substance.
PushPurgeGasFlow¶
description: Section describing the flow of a gas.
inherits from: nomad_material_processing.vapor_deposition.general.GasFlow
properties:
| name | type | |
|---|---|---|
| flow_rate | nomad_material_processing.vapor_deposition.general.VolumetricFlowRate |
sub-section |
| purge_flow_rate | nomad_material_processing.vapor_deposition.general.VolumetricFlowRate |
sub-section |
Rotation¶
description: Rotation
inherits from: nomad_material_processing.general.TimeSeries
properties:
| name | type | |
|---|---|---|
| set_value | float |
The value scalar set for this parameter.shape=['*'], unit=revolutions_per_minute |
| value | float |
The rotation of the sample holder, or susceptor.shape=['*'], unit=revolutions_per_minute |
PartialVaporPressure¶
description: The Partial Vapor Pressure (or Equilibrium Vapor Pressure), p, is the pressure exerted by a vapor in thermodynamic equilibrium with its condensed phases (solid or liquid) at a given temperature in a closed system.
It can be approximately calculated by the semiempirical Antoine equation. It is a relation between the vapor pressure and temperature of pure substances. log10(p) = A - [B / (T + C)] https://en.wikipedia.org/wiki/Vapor_pressure The August-Antoine equation is a simplified version of the Antoine equation, sometimes used to calculate Partial Vapor Pressure. This assumes a temperature-independent heat of vaporization, i.e., C = 0. https://en.wikipedia.org/wiki/Antoine_equation
inherits from: nomad_material_processing.vapor_deposition.general.Pressure
properties:
| name | type | |
|---|---|---|
| set_value | float |
The value scalar set for this parameter.shape=['*'], unit=pascal |
| value | float |
The observed value as a function of time.shape=['*'], unit=pascal |
| time | float |
The process time when each of the values were recorded.shape=['*'], unit=second |
BubblerMolarFlowRate¶
description: Molar flow rate is the amount of a substance which passes per unit of time. The article cited below explains the equation used in MOVPE to calculate the molar flow rate.
F_r = F_c*P_r / (P_0 - P_r)
where:
F_r is the molar flow rate, F_c is the carrier gas flow rate, P_r is the partial vapor pressure of the precursor, P_0 is the total pressure exiting the bubbler.
Reference: Journal of Vacuum Science & Technology A 8, 800 (1990); doi: 10.1116/1.576921
inherits from: nomad_material_processing.vapor_deposition.general.MolarFlowRate
properties:
| name | type | |
|---|---|---|
| value | float |
The observed value as a function of time.shape=['*'], unit=mole / second |
| set_value | float |
The set value(s) (i.e. the intended values) set.shape=['*'], unit=mole / second |
CVDEvaporationSource¶
inherits from: nomad_material_processing.vapor_deposition.general.EvaporationSource
properties:
| name | type | |
|---|---|---|
| pressure | nomad_material_processing.vapor_deposition.general.Pressure |
sub-section |
| precursor_partial_pressure | PartialVaporPressure |
sub-section |
| temperature | nomad_material_processing.vapor_deposition.general.Temperature |
sub-section |
| total_flow_rate | nomad_material_processing.vapor_deposition.general.VolumetricFlowRate |
The total flow rate exiting the source. It can be the sum of precursor and carrier gas or only a gas, depending on the nature of the source.sub-section |
BubblerEvaporator¶
description: Delivers precursor materials to the reaction chamber. It serves as a mechanism for introducing volatile liquid or solid precursors into the gas phase where they can react and deposit onto a substrate surface to form thin films or coatings.
Key components: - Bubbler Vessel: This vessel holds the precursor material. - Heating Element: To facilitate vaporization. - Gas Inlet and Outlet: Gas delivery system via gas inlet and outlet ports. - Temperature Control: Maintain the vapor pressure of the precursor at the desired level.
Operation: - Loading Precursor: The precursor material is loaded into the bubbler vessel - Heating: The heating element is activated to form a vapor phase above the liquid or solid. - Gas Flow: Carrier gas is bubbled through the precursor material. - Transport: The precursor vapor is delivered to the reaction chamber. The precursor undergoes decomposition or reaction on the substrate surface, leading to thin film growth.
inherits from: CVDEvaporationSource
properties:
| name | type | |
|---|---|---|
| dilution | float |
ONLY FOR DOPING PRECURSORunit=centimeter ** 3 / minute |
| source | float |
ONLY FOR DOPING PRECURSORunit=centimeter ** 3 / minute |
| inject | float |
ONLY FOR DOPING PRECURSORunit=centimeter ** 3 / minute |
| carrier_gas | nomad.datamodel.metainfo.basesections.v1.PubChemPureSubstanceSection |
sub-section |
| carrier_push_flow_rate | nomad_material_processing.vapor_deposition.general.VolumetricFlowRate |
The flow through the push valve.sub-section |
| carrier_purge_flow_rate | nomad_material_processing.vapor_deposition.general.VolumetricFlowRate |
The flow through the purge valve.sub-section |
FlashEvaporator¶
description: Flash Evaporator Unit: it typically comprises a reservoir where the metalorganic precursor, often in liquid form, is stored.
Components:
- Heating Mechanism.
- Carrier Gas Inlet.
- Precursor Delivery Pathway.
- Temperature Control System.
Operation:
- Loading of Precursor.
- Vaporization Process.
- Carrier Gas Introduction.
- Transport to Reaction Chamber.
- Temperature Regulation.
inherits from: CVDEvaporationSource
properties:
| name | type | |
|---|---|---|
| carrier_gas | nomad.datamodel.metainfo.basesections.v1.PubChemPureSubstanceSection |
sub-section |
| carrier_push_flow_rate | nomad_material_processing.vapor_deposition.general.VolumetricFlowRate |
The flow through the push valve.sub-section |
| carrier_purge_flow_rate | nomad_material_processing.vapor_deposition.general.VolumetricFlowRate |
The flow through the purge valve.sub-section |
MistEvaporator¶
description: MIST-CVD source is a novel method for the deposition of thin films.
inherits from: CVDEvaporationSource
GasLineEvaporator¶
description: In chemical vapor deposition (CVD), the gas supply plays a critical role in providing the necessary precursor molecules for the deposition process.
Gas lines are used to transport the precursor gases from their source to the reaction chamber. These lines are often made of materials that are compatible with the precursor gases and can withstand the process conditions. They may also be heated or insulated to maintain the gases at the desired temperature and prevent condensation or undesired reactions within the lines.
inherits from: CVDEvaporationSource
GasCylinderEvaporator¶
description: In chemical vapor deposition (CVD), the gas supply plays a critical role in providing the necessary precursor molecules for the deposition process.
Contains the precursor gases under pressure. These cylinders are connected to the CVD chamber through a system of valves, regulators, and tubing. The flow rate of each gas can be controlled precisely using flow meters or mass flow controllers to achieve the desired deposition conditions.
inherits from: CVDEvaporationSource
properties:
| name | type | |
|---|---|---|
| dilution_in_cylinder | float |
The gas dilution in the cylinder. |
| effective_flow_rate | nomad_material_processing.vapor_deposition.general.VolumetricFlowRate |
Effective flow rate, to be defined better.sub-section |
CVDSource¶
description: A source of vapor for chemical vapor deposition (CVD) processes.
inherits from: nomad_material_processing.vapor_deposition.general.VaporDepositionSource
properties:
| name | type | |
|---|---|---|
| valve | bool |
is the valve open? |
| vapor_source | CVDEvaporationSource |
Example: A heater, a filament, a laser, a bubbler, etc.sub-section |
BubblerSource¶
inherits from: CVDSource
properties:
| name | type | |
|---|---|---|
| vapor_source | BubblerEvaporator |
Example: A heater, a filament, a laser, a bubbler, etc.sub-section |
GasLineSource¶
inherits from: CVDSource
properties:
| name | type | |
|---|---|---|
| vapor_source | GasLineEvaporator |
Example: A heater, a filament, a laser, a bubbler, etc.sub-section |
GasCylinderSource¶
inherits from: CVDSource
properties:
| name | type | |
|---|---|---|
| vapor_source | GasCylinderEvaporator |
Example: A heater, a filament, a laser, a bubbler, etc.sub-section |
FlashSource¶
inherits from: CVDSource
properties:
| name | type | |
|---|---|---|
| vapor_source | FlashEvaporator |
Example: A heater, a filament, a laser, a bubbler, etc.sub-section |
| peristaltic_pump_flux | nomad_material_processing.vapor_deposition.general.VolumetricFlowRate |
The flux of the peristaltic pump feeding into the flash evaporator.sub-section |
MistSource¶
description: Mist-CVD source is a novel method for the deposition of thin films.
inherits from: CVDSource
properties:
| name | type | |
|---|---|---|
| item | str |
An ID used to identify the solution. |
| stirring_time | float |
Solution stirring time.unit=second |
| description | str |
Some notes. |
| vapor_source | MistEvaporator |
Example: A heater, a filament, a laser, a bubbler, etc.sub-section |
| material | ComponentConcentration |
The source of the material that is being evaporated. Example: A sputtering target, a powder in a crucible, etc.sub-section, repeats |
CVDStep¶
description: A step of any physical vapor deposition process.
inherits from: nomad_material_processing.vapor_deposition.general.VaporDepositionStep
properties:
| name | type | |
|---|---|---|
| step_index | str |
The sequential index of the step in the growth process |
| sources | CVDSource |
sub-section, repeats |
| sample_parameters | nomad_material_processing.vapor_deposition.general.SampleParameters |
sub-section, repeats |
normalization:
The normalizer for the CVDStep class.
Args: archive (EntryArchive): The archive containing the section that is being normalized. logger (BoundLogger): A structlog logger.
ChemicalVaporDeposition¶
description: A synthesis method where the substrate is exposed to one or more volatile precursors, which react or decompose on the surface to produce a deposit. [database_cross_reference: https://orcid.org/0000-0002-0640-0422]
Synonyms: - chemical vapor deposition - CVD (chemical vapour deposition) synthesis - chemical-vapor deposition - chemical-vapour deposition - CVD
inherits from: nomad_material_processing.vapor_deposition.general.VaporDeposition
links: http://purl.obolibrary.org/obo/CHMO_0001314
properties:
| name | type | |
|---|---|---|
| steps | CVDStep |
The steps of the deposition process.sub-section, repeats |
normalization:
The normalizer for the PhysicalVaporDeposition class.
Args: archive (EntryArchive): The archive containing the section that is being normalized. logger (BoundLogger): A structlog logger.