momentum_matrix_elements{ }#

Changed in version 2.4.27.

Calling sequence

quantum{ region{ momentum_matrix_elements{ } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: maximum 1

Functionality

Triggers calculation of absolute values and square absolute values of polarization-dependent envelope momentum matrix elements summed over the bases of the selected band models. See our documentation on Matrix elements for the details.

Nested keywords

polarization{ }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ polarization{ } } } }

Properties

  • usage: \(\mathrm{\textcolor{WildStrawberry}{required}}\)

  • items: no constraints

Functionality

Defines complex polarization versor of the incident light \(\epsilon\) for the model, here based on the Fermi’s golden rule.

polarization{ name }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ polarization{ name = "..." } } } }

Properties

  • usage: \(\mathrm{\textcolor{WildStrawberry}{required}}\)

  • type: character string

Functionality

Defines suffix for all spectra output files related to the polarization defined in this group.

polarization{ re }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ polarization{ re = [..., ..., ...] } } } }

Properties

  • usage: \(\mathrm{\textcolor{Dandelion}{conditional}}\)

  • type: vector of 3 real numbers: \((r_1, r_2, r_3)\)

  • values: no constraints

  • default: \(r_1=0.0\), \(r_2=0.0\), \(r_3=0.0\)

  • unit: \(\mathrm{-}\)

Functionality

Defines real part of the polarization versor \(\polarization\). Normalized vector of unit length is calculated based on both real and imaginary parts, which enters the calculation.

polarization{ re }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ polarization{ im = [..., ..., ...] } } } }

Properties

  • usage: \(\mathrm{\textcolor{Dandelion}{conditional}}\)

  • type: vector of 3 real numbers: \((r_1, r_2, r_3)\)

  • values: no constraints

  • default: \(r_1=0.0\), \(r_2=0.0\), \(r_3=0.0\)

  • unit: \(\mathrm{-}\)

Functionality

Defines imaginary part of the polarization versor \(\polarization\). Normalized vector of unit length is calculated based on both real and imaginary parts, which enters the calculation.

all_k_points#

Calling sequence

quantum{ region{ momentum_matrix_elements{ all_k_points = ... } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • type: choice

  • values: yes or no

  • default: yes

Functionality

If all_k_points = yes then matrix elements are outputted for all simulation \(\WaveK\)-points used in integration of densities of states. Otherwise only \(\WaveK = \VecZero\) is considered.

Gamma{ }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ Gamma{ } } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: maximum 1

Functionality

Calculates \(|\bra{\EnvelopeFunction_{\Gamma \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{\Gamma\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{\Gamma \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{\Gamma\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/Gamma_Gamma/momentum_matrix_elements_*.*.

X{ }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ X{ } } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: maximum 1

Functionality

Calculates \(|\bra{\EnvelopeFunction_{X \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{X\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{X \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{X\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/X_X/momentum_matrix_elements_*.*.

Delta{ }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ Delta{ } } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: maximum 1

Functionality

Calculates \(|\bra{\EnvelopeFunction_{\Delta \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{\Delta\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{\Delta \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{\Delta\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/Delta_Delta/momentum_matrix_elements_*.*.

L{ }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ L{ } } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: maximum 1

Functionality

Calculates \(|\bra{\EnvelopeFunction_{L \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{L\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{L \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{L\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/L_L/momentum_matrix_elements_*.*.

HH{ }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ HH{ } } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: maximum 1

Functionality

Calculates \(|\bra{\EnvelopeFunction_{HH \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{HH\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{HH \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{HH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/HH_HH/momentum_matrix_elements_*.*.

LH{ }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ LH{ } } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: maximum 1

Functionality

Calculates \(|\bra{\EnvelopeFunction_{LH \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{LH\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{LH \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{LH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/LH_LH/momentum_matrix_elements_*.*.

SO{ }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ SO{ } } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: maximum 1

Functionality

Calculates \(|\bra{\EnvelopeFunction_{SO \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{SO\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{SO \Indexm\WaveK}}\polarization \circ \grad \ket{\EnvelopeFunction_{SO\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/SO_SO/momentum_matrix_elements_*.*.

KP6{ }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ KP6{ } } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: maximum 1

Functionality

Calculates \(|\sum_{\alpha \in \Basis[6]}\bra{\EnvelopeFunction_{\alpha \Indexm\WaveK}}\polarization \circ \grad\ket{\EnvelopeFunction_{\alpha\Indexn\WaveK}}|\) and \(|\sum_{\alpha \in \Basis[6]}\bra{\EnvelopeFunction_{\alpha \Indexm\WaveK}}\polarization \circ \grad\ket{\EnvelopeFunction_{\alpha\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/kp6_kp6/momentum_matrix_elements_*.*.

KP8{ }#

Calling sequence

quantum{ region{ momentum_matrix_elements{ KP8{ } } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: maximum 1

Functionality

Calculates \(|\sum_{\alpha \in \Basis[8]}\bra{\EnvelopeFunction_{\alpha \Indexm\WaveK}}\polarization \circ \grad\ket{\EnvelopeFunction_{\alpha\Indexn\WaveK}}|\) and \(|\sum_{\alpha \in \Basis[8]}\bra{\EnvelopeFunction_{\alpha \Indexm\WaveK}}\polarization \circ \grad\ket{\EnvelopeFunction_{\alpha\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/kp8_kp8/momentum_matrix_elements_*.*.

output_matrix_elements#

Calling sequence

quantum{ region{ momentum_matrix_elements{ output_matrix_elements = ... } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • type: choice

  • values: yes or no

  • default: yes

Functionality

If output_matrix_elements = yes then matrix elements are saved in in output files bias_*/Quantum/[QUANTUM_REGION_NAME]/[BAND_MODEL]_[BAND_MODEL]/momentum_matrix_elements_*.*.

output_oscillator_strengths#

Calling sequence

quantum{ region{ momentum_matrix_elements{ output_oscillator_strengths = ... } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • type: choice

  • values: yes or no

  • default: no

Functionality

If output_oscillator_strengths = yes then oscillator strengths are saved in output file. Currently, only a simple formula is used, i.e. the free electron mass is used and not the real effective mass one.