Commit 42af0d77 authored by Raul Back Campanelli's avatar Raul Back Campanelli
Browse files

Compatibility with CsPbBr3 (Perovskites) as active material 

This contribution adds Cesium Lead Bromide (CsPbBr3) to the list of
active materials. This material is being extensivelly investigated as
photo-active sensor for hard X-ray detection, so we made a few changes
to make Allpix Squared compatible to this material. While the Fano
factor has not yet been reported (assumed to equal 0.1), other
properties (such as ionization energy of 5.3 eV) are implemented here.
Carrier mobility can be simulated using the consant_mobility model, with
 values ranging from 11 to 128 cm2/Vs for holes and from 28 to 160
cm2/Vs for electrons.

https://doi.org/10.1002/adom.201600704
https://www.nature.com/articles/s41467-021-21805-0
https://doi.org/10.1038/s41598-024-74384-7
parent 5483b0db

doc/usermanual/06_models/01_material_properties.md

+3 −1
Original line number Diff line number Diff line
@@ -30,7 +30,7 @@ composition and of vendors. The sources for the chosen default values are provid 
| Cadmium Zinc Telluride $`(\ce{Cd_{0.8}Zn_{0.2}Te})`$ | 4.6             | 0.14        | \[[@CdZnTe_Creation], [@CdZnTe_Fano]\] |

| Diamond                                              | 13.1            | 0.382       | \[[@Diamond_Creation_Fano]\]           |

| Silicon Carbide $`(\ce{{4H-}SiC})`$                  | 7.6             | 0.1         | \[[@SiC_Creation], [@SiC_Fano]\]       |



| Cesium Lead Bromide (CsPbBr<sub>3</sub>)                      | 5.3             | 0.1         | \[[@CsPbBr3_Creation],[@CsPbBr3_Fano]\]|                                        |



It should be noted that material properties such as the density and composition of materials are defined only in case of

constructing a Geant4 geometry via the `GeometryBuilderGeant4` module, therefore these values are implemented within the
@@ -49,3 +49,5 @@ respective module. 
[@Diamond_Creation_Fano]: https://doi.org/10.1002/pssa.201600195

[@SiC_Creation]: https://doi.org/10.1109/NSSMIC.2005.1596542

[@SiC_Fano]: https://doi.org/10.1016/j.nima.2010.08.046

[@CsPbBr3_Creation]: https://doi.org/10.1038/s41467-018-04073-3

[@CsPbBr3_Fano]: https://doi.org/10.1038/s41566-020-00727-1

src/core/geometry/DetectorModel.hpp

+1 −0
Original line number Diff line number Diff line
@@ -49,6 +49,7 @@ namespace allpix { 
        DIAMOND,                ///< Diamond

        SILICON_CARBIDE,        ///< Silicon Carbide

        GALLIUM_NITRIDE,        ///< Gallium Nitride

        CESIUM_LEAD_BROMIDE,    ///< CsPbBr3 (Perovskite)

    };



    /**

src/modules/GeometryBuilderGeant4/MaterialManager.cpp

+15 −0
Original line number Diff line number Diff line
@@ -89,6 +89,7 @@ void Materials::set(const std::string& name, G4Material* material) { materials_. 
 *   - silicon carbide

 *   - titanium grade 5

 *   - vacuum

 *   - cesium_lead_bromide

 */

void Materials::init_materials() {

    G4NistManager* nistman = G4NistManager::Instance();
@@ -127,6 +128,8 @@ void Materials::init_materials() { 
    auto* Sn = nistman->FindOrBuildElement("Sn");

    auto* Te = nistman->FindOrBuildElement("Te");

    auto* Pb = nistman->FindOrBuildElement("Pb");

    auto* Cs = nistman->FindOrBuildElement("Cs");

    auto* Br = nistman->FindOrBuildElement("Br");



    // Create Epoxy material

    auto* Epoxy = new G4Material("Epoxy", 1.3 * CLHEP::g / CLHEP::cm3, 3);
@@ -219,4 +222,16 @@ void Materials::init_materials() { 


    // Add vacuum

    materials_["vacuum"] = new G4Material("Vacuum", 1, 1.008 * CLHEP::g / CLHEP::mole, CLHEP::universe_mean_density);



    // Create Cesium-Lead Bromide

    // Increasingly studied material for hard X-ray detection

    // https://doi.org/10.1063/5.0151902

    // https://doi.org/10.1038/s41598-024-74384-7



    auto* CsPbBr3 = new G4Material("CsPbBr3", 4.42 * CLHEP::g / CLHEP::cm3, 3);

    CsPbBr3->AddElement(Cs, 1);

    CsPbBr3->AddElement(Pb, 1);

    CsPbBr3->AddElement(Br, 3);

    materials_["cesium_lead_bromide"] = CsPbBr3;



}

src/physics/MaterialProperties.hpp

+4 −3
Original line number Diff line number Diff line
@@ -30,7 +30,8 @@ namespace allpix { 
        {SensorMaterial::CADMIUM_TELLURIDE, 4.43e-6}, // https://doi.org/10.1016/0029-554X(74)90662-4

        {SensorMaterial::CADMIUM_ZINC_TELLURIDE, 4.6e-6},

        {SensorMaterial::DIAMOND, 13.1e-6},         // https://doi.org/10.1002/pssa.201600195

        {SensorMaterial::SILICON_CARBIDE, 7.6e-6}}; // https://doi.org/10.1109/NSSMIC.2005.1596542

        {SensorMaterial::SILICON_CARBIDE, 7.6e-6}, // https://doi.org/10.1109/NSSMIC.2005.1596542

        {SensorMaterial::CESIUM_LEAD_BROMIDE,5.3e-6}}; // https://doi.org/10.1038/s41467-018-04073-3



    /**

     * @brief Fano factors for different materials
@@ -44,8 +45,8 @@ namespace allpix { 
        {SensorMaterial::CADMIUM_TELLURIDE, 0.24},      // https://doi.org/10.1016/j.nima.2018.09.025

        {SensorMaterial::CADMIUM_ZINC_TELLURIDE, 0.14}, // https://doi.org/10.1109/23.322857

        {SensorMaterial::DIAMOND, 0.382},               // https://doi.org/10.1002/pssa.201600195

        {SensorMaterial::SILICON_CARBIDE, 0.1}};        // https://doi.org/10.1016/j.nima.2010.08.046



        {SensorMaterial::SILICON_CARBIDE, 0.1},        // https://doi.org/10.1016/j.nima.2010.08.046

        {SensorMaterial::CESIUM_LEAD_BROMIDE,0.1}};                // Not yet measured, but assumed by authors https://doi.org/10.1038/s41566-020-00727-1

} // namespace allpix



#endif /* ALLPIX_PROPERTIES_H */