Complexes

D0F_ComplexProp ? ?

Definition

Proportional value to the prefactor of impurities emission for complexes. The emitted particle will be:

• A single impurity if it is mobile (F, O,...).

• An impurity native-defect pair if the single impurity is immobile (As, B, C) and it is emitted as a point defect (AsV, Bi, Ci,...).

Interrogation marks (?) indicate the particles of the complex for which the parameter is defined, for instance, D0F_ComplexProp I B is used for I_mB_n complex.

Involved particles

• Single neutral "native defects".

• Single impurities.

Units

Square centimeters per second (cm²/s).

Related DADOS mechanisms

• Complex implementation.

Comments

1. The proportional prefactor for emission of single neutral "native defects" is taken to be equal to the one of the corresponding clusters (see D0_ClusterProp).

 

Etotal_Complex ? ?

Definition

Total energy: Energy to separate all particles from a complex X_mA_n. Formation energies of native defects particles are not included.

Interrogation marks (?) indicate the particle for which the parameter is defined, for instance, Etotal_Complex I C is used for C_nI_m complex.

Involved particles

• Single neutral "native defects".

• Single impurities.

Units

Electron-volts (eV).

Related DADOS mechanisms

• Complex implementation.

Comments

1. The format used in the DDP file can be seen here.

2. The lower the values, the higher the complex stability.

3. If there is no energy included in the DDP file, DADOS assumes that this configuration is unstable and it gives a value of +5 eV to the potential energy to avoid the creation of this kind of complexes.

 

EbarrierB_Complex ? ?

Definition

Barrier energy for capture and emission of back particles.

Interrogation marks (?) indicate the particle for which the parameter is defined, for instance, EbarrierB_Complex I C is used for I_mC_n complex.

Involved particles

Single neutral "native defects".

Units

Electron-volts (eV).

Related DADOS mechanisms

• Complex implementation.

Comments

1. This energy is implemented for both  and capture as the process must be reversible.

 

EbarrierF_Complex ? ?

Definition

Barrier energy for capture and emission of front particles.

Interrogation marks (?) indicate the particle for which the parameter is defined, for instance, EbarrierF_Complex I C is used for I_mC_n complex.

Involved particles

Single impurities.

Units

Electron-volts (eV).

Related DADOS mechanisms

• Complex implementation.

Comments

1. This energy is implemented for both emission and capture as the process must be reversible.