Materials Properties Classification¶
The classification explained below complements the more general one introduced here. We further classify the Properties of Materials according to the conventions below.
By origin | By domain |
---|---|
Elemental | Chemical |
Primary | Electrical |
Compound | Electronic |
Custom | Magnetic |
Mechanical | |
Optical | |
Thermal | |
Thermodynamic | |
Vibrational | |
Other |
By origin¶
We further make the following sub-categorization for Materials Properties, following the Exabyte Data Convention.
- elemental: entirely defined by pure elements and inherited by compounds without modification (eg. electronegativity, atomic weight).
- primary: directly available properties specific to material (can be of all types, for example characteristic or descriptive).
- structural: we separate structural properties as the most fundamental group.
- compound: combined properties defined through others, eg. (property 1 + property 2) / 2, Log (property 1 - property 2).
- custom: user-defined properties (eg. from imported/uploaded data).
By domain¶
The following domains of materials properties (with shortlists of examples) can be considered:
- Chemical:
- reaction barrier height
- diffusion barrier height
- Electrical:
- resistivity
- i-v curve
- dielectric matrix
- electric susceptibility
- Electronic:
- band gap(s)
- band structure
- density of states
- charge density map
- fermi surface
- HOMO-LUMO gap
- Magnetic:
- magnetic susceptibility
- magnetic moment
- Mechanical:
- hardness
- bulk modulus
- shear modulus
- poisson ratio
- Optical:
- absorption spectra
- Thermal:
- thermopower
- heat capacity
- Thermodynamic:
- formation energy
- melting temperature
- superconducting transition temperature
- Vibrational:
- zero point energy
- phonon dispersions
- phonon density of states
- electron-phonon coupling
- Other:
- other properties that do not fit the above classification