Adding CustomDoping & Deprecation messages for semiconductor

Author: marc-flex

CHANGELOG.md

@@ -13,6 +13,9 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - Task names are now optional when using `run(sim)` or `Job`. When running multiple jobs (via `run_async` or `Batch`), you can also provide simulations as a list without specifying task names. The previous dictionary-based format with explicit task names is still supported.
 - Added support for `tidy3d-extras`, an optional plugin that enables more accurate local mode solving via subpixel averaging.
 - Enabled lazy loading of data via `web.load(..., lazy=True)`. When used, this returns a lightweight proxy object holding a reference to the data. On first access to any field or method, the proxy transparently loads the full object (same as with the default lazy=False).
+- A new type of doping box has been introduced, `CustomDoping` which accepts a `SpatialDataArray` to define doping concentration. Unlike in the case where a `SpatialDataArray`, custom doping defined with `CustomDoping` have additive behavior, i.e., one can add other doping on top. This deprecates the `SpatialDataArray` as direct input for `N_a` and `N_d`.
+- Non-isothermal Charge simulations are now available. One can now run this type of simulations by using the `SteadyChargeDCAnalysis` as the `analysis_spec` of a `HeatChargeSimulation`. This type of simulations couple the heat equation with the drift-diffusion equations which allow to account for self heating behavior.
+- Because non-isothermal Charge simulations are now supported, new models for the effective density of states and bandgap energy have been introduced. These models are the following: `ConstantEffectiveDOS`, `IsotropicEffectiveDOS`, `MultiValleyEffectiveDOS`, `DualValleyEffectiveDOS`.
 
 ### Changed
 - `LayerRefinementSpec` defaults to assuming structures made of different materials are interior-disjoint for more efficient mesh generation.

schemas/EMESimulation.json

@@ -1851,6 +1851,11 @@
             {
               "type": "autograd.tracer.Box"
             }
+          ],
+          "default": [
+            Infinity,
+            Infinity,
+            Infinity
           ]
         },
         "type": {
@@ -1861,9 +1866,6 @@
           "type": "string"
         }
       },
-      "required": [
-        "size"
-      ],
       "type": "object"
     },
     "ConstantEffectiveDOS": {
@@ -2491,6 +2493,138 @@
       ],
       "type": "object"
     },
+    "CustomDoping": {
+      "additionalProperties": false,
+      "properties": {
+        "attrs": {
+          "default": {},
+          "type": "object"
+        },
+        "center": {
+          "anyOf": [
+            {
+              "items": [
+                {
+                  "anyOf": [
+                    {
+                      "type": "autograd.tracer.Box"
+                    },
+                    {
+                      "type": "number"
+                    }
+                  ]
+                },
+                {
+                  "anyOf": [
+                    {
+                      "type": "autograd.tracer.Box"
+                    },
+                    {
+                      "type": "number"
+                    }
+                  ]
+                },
+                {
+                  "anyOf": [
+                    {
+                      "type": "autograd.tracer.Box"
+                    },
+                    {
+                      "type": "number"
+                    }
+                  ]
+                }
+              ],
+              "maxItems": 3,
+              "minItems": 3,
+              "type": "array"
+            },
+            {
+              "type": "autograd.tracer.Box"
+            }
+          ],
+          "default": [
+            0.0,
+            0.0,
+            0.0
+          ]
+        },
+        "concentration": {
+          "properties": {
+            "_dims": {
+              "type": "Tuple[str, ...]"
+            }
+          },
+          "required": [
+            "_dims"
+          ],
+          "type": "xr.DataArray"
+        },
+        "size": {
+          "anyOf": [
+            {
+              "items": [
+                {
+                  "anyOf": [
+                    {
+                      "minimum": 0,
+                      "type": "number"
+                    },
+                    {
+                      "type": "autograd.tracer.Box"
+                    }
+                  ]
+                },
+                {
+                  "anyOf": [
+                    {
+                      "minimum": 0,
+                      "type": "number"
+                    },
+                    {
+                      "type": "autograd.tracer.Box"
+                    }
+                  ]
+                },
+                {
+                  "anyOf": [
+                    {
+                      "minimum": 0,
+                      "type": "number"
+                    },
+                    {
+                      "type": "autograd.tracer.Box"
+                    }
+                  ]
+                }
+              ],
+              "maxItems": 3,
+              "minItems": 3,
+              "type": "array"
+            },
+            {
+              "type": "autograd.tracer.Box"
+            }
+          ],
+          "default": [
+            Infinity,
+            Infinity,
+            Infinity
+          ]
+        },
+        "type": {
+          "default": "CustomDoping",
+          "enum": [
+            "CustomDoping"
+          ],
+          "type": "string"
+        }
+      },
+      "required": [
+        "concentration"
+      ],
+      "type": "object"
+    },
     "CustomDrude": {
       "additionalProperties": false,
       "properties": {
@@ -5176,6 +5310,11 @@
             {
               "type": "autograd.tracer.Box"
             }
+          ],
+          "default": [
+            Infinity,
+            Infinity,
+            Infinity
           ]
         },
         "source": {
@@ -5197,7 +5336,6 @@
       "required": [
         "concentration",
         "ref_con",
-        "size",
         "width"
       ],
       "type": "object"
@@ -9548,6 +9686,10 @@
             },
             {
               "$ref": "#/definitions/VarshniEnergyBandGap"
+            },
+            {
+              "exclusiveMinimum": 0,
+              "type": "number"
             }
           ]
         },
@@ -9559,6 +9701,9 @@
                   {
                     "$ref": "#/definitions/ConstantDoping"
                   },
+                  {
+                    "$ref": "#/definitions/CustomDoping"
+                  },
                   {
                     "$ref": "#/definitions/GaussianDoping"
                   }
@@ -9582,7 +9727,7 @@
               "type": "xr.DataArray"
             }
           ],
-          "default": 0
+          "default": []
         },
         "N_c": {
           "anyOf": [
@@ -9597,6 +9742,10 @@
             },
             {
               "$ref": "#/definitions/MultiValleyEffectiveDOS"
+            },
+            {
+              "exclusiveMinimum": 0,
+              "type": "number"
             }
           ]
         },
@@ -9608,6 +9757,9 @@
                   {
                     "$ref": "#/definitions/ConstantDoping"
                   },
+                  {
+                    "$ref": "#/definitions/CustomDoping"
+                  },
                   {
                     "$ref": "#/definitions/GaussianDoping"
                   }
@@ -9631,7 +9783,7 @@
               "type": "xr.DataArray"
             }
           ],
-          "default": 0
+          "default": []
         },
         "N_v": {
           "anyOf": [
@@ -9646,6 +9798,10 @@
             },
             {
               "$ref": "#/definitions/MultiValleyEffectiveDOS"
+            },
+            {
+              "exclusiveMinimum": 0,
+              "type": "number"
             }
           ]
         },