documentation:element_specific_model
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- | === Element Specific Modelling === | + | ===== Element Specific Modelling |
- | The standard modelling of thin films is done in the layer table and consists of a list of layers of different compound materials. A compound here is defined as a group of elements which have a homogeneous density inside the layer (e. g. crystals, same bondings). The optical constants can be achieved by a linear combination of element-specific scattering | + | The standard modelling of thin films is done in the layer table and consists of a list of layers of different compound materials. A compound here is defined as a group of elements which have a homogeneous density inside the layer (e. g. crystals). The optical constants can be achieved by a linear combination of element-specific scattering |
The main parameters for each layer are the thickness, interface roughnesses and the optical constants. | The main parameters for each layer are the thickness, interface roughnesses and the optical constants. | ||
- | If the density or the bondings | + | If the properties of the compound |
- | The element-specific idea is to introduce an advanced way of modelling the layer. The main assumption is that you have seperated layer profiles for each element. In contrast to the material-modelling the parameters for each element specific layer are the element densities, the element interface roughnesses. Each element has their own scattering factors f1, f2 | + | The element-specific idea is to introduce an advanced way of modelling the layer. The main assumption is that you have seperated layer profiles for each element. In contrast to the compound-modelling the parameters for each element specific layer are the element densities, |
=== Activating Element Mode === | === Activating Element Mode === | ||
- | At the moment there is only one way to initially change to element mode. After the initialization step the mode change can be done in the menu under " | + | At the moment there is only one way to initially change to element mode. After the initialization step the change |
- | The first steps you have to do are in the layer tables. Introduce the initial layer configuration | + | 1. Work in the compound mode. Introduce the initial layer configuration and begin to make a " |
- | The second step is to type in the initial material density [g/cm^3] and the chemical formula in the properties dialog for each layer (Right Click-> | + | 2. |
+ | Type in the initial material density [g/cm^3] and the chemical formula in the properties dialog for each layer (Right Click-> | ||
E. g. | E. g. | ||
* " | * " | ||
Line 22: | Line 23: | ||
* " | * " | ||
+ | 3. | ||
In the final step you have to go to the Optical Constants Frame in the Data register and start the converter by clicking the button " | In the final step you have to go to the Optical Constants Frame in the Data register and start the converter by clicking the button " | ||
- | The conversion algorithm uses an internal database to get the molare | + | The conversion algorithm uses an internal database to get the molar mass of each element. |
=== Using Element Mode === | === Using Element Mode === | ||
- | The most important additional options for the element mode are in the "Optical Constants" Frame in the " | + | The most important additional options for the element mode are in the "Element Mode" Frame in the " |
- | The layer table is different for each element and consists of the entries thickness in Angstrom, density in mol/cm^3, roughness in Angstrom. The scattering factors f1/f2 are the same for each element. | + | |
- | + | ||
- | Additional you can display the element specific profiles and f1/f2 for each element. | + | |
- | + | ||
- | Instead of .db files the program needs .ff files for the scattering factors. E. g. Ni.ff, H.ff, ..... | + | |
- | + | ||
- | Fitting works like in compound mode. | + | |
+ | - Additional you can display the element specific profiles and f1/f2 for each element. | ||
+ | - Instead of .db files the program needs .ff files for the scattering factors. E. g. Ni.ff, H.ff, ..... | ||
+ | - Fitting works like in compound mode. | ||
The current version has following limitations | The current version has following limitations | ||
- | - after initialization step no additional element types can be added | + | - After initialization step no additional element types can be added |
- | - In total eight different elements are supported. Otherwise the display of the profiles will not work. | + | - In total eight different elements are supported. Otherwise the display of the element density |
=== What is the strength of this element mode? (Valency, Magnetic profiles, ...)=== | === What is the strength of this element mode? (Valency, Magnetic profiles, ...)=== |
documentation/element_specific_model.1441788686.txt.gz · Last modified: 2015/09/09 08:51 by macke