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qcl:simulation_output [2021/08/23 16:29] takuma.sato [Initial electronic states] |
qcl:simulation_output [2022/09/20 17:10] (current) thomas.grange |
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| * ''Oscillator_Strength.mat'' gives the oscillator strengths. | * ''Oscillator_Strength.mat'' gives the oscillator strengths. | ||
| + | === Oscillator strength === | ||
| + | The oscillator strength is calculated from the formula | ||
| + | $$ | ||
| + | f_{\alpha \beta} = \frac{2 \vert p_{\alpha \beta}\vert^2}{m_0 (E_{\beta} - E_{\alpha})} | ||
| + | $$ | ||
| + | Note that the electron mass $m_0$ entering the above formula is the bare electron mass. | ||
| + | |||
| + | This oscillator strength (which is sometimes referred as the unnormalized one), differs from the usual definition in the single band case by the ratio $m^*/m_0$, i.e. $\frac{m^*}{m_0} f_{\alpha \beta}$ is called the normalized oscillator strength. | ||
| + | |||
| + | The advantage of this unnormalized definition is that it is general enough to be applied to the multiband case. | ||
| + | |||
| + | Note that in the parabolic single-band case, the usual sum-rule is retrieved by using the normalized definition | ||
| + | $$ | ||
| + | \sum_{\beta \neq \alpha} \frac{m^*}{m_0} f_{\alpha \beta} = 1 | ||
| + | $$ | ||
| === In-plane discretization === | === In-plane discretization === | ||
| Line 148: | Line 163: | ||
| * ''EffectiveMasses.dat'' gives the position and energy-dependent effective mass | * ''EffectiveMasses.dat'' gives the position and energy-dependent effective mass | ||
| * ''Populations.text'' indicates the population (i.e. the probability of occupation) in each level $\Psi_i$ (normalized to 1 for one period of the structure). | * ''Populations.text'' indicates the population (i.e. the probability of occupation) in each level $\Psi_i$ (normalized to 1 for one period of the structure). | ||
| - | * ''SpectralFunctions.dat'' shows the diagonal part of the spectral function, i.e. the energy-resolved density of states (DOS). | + | * ''SpectralFunctions.dat'' shows the diagonal part of the spectral function, i.e. the energy-resolved density of states (DOS) |
| + | * ''SpontaneousemissionRate.txt'' gives for each pair of initial and final state the scattering rate (s^-1) of spontaneous photon emission. | ||
| + | * ''SpontaneousemissionRate.mat'' gives the same information but in matrix form: the element ($i$,$j$) gives the scattering rate (s^-1) of spontaneous photon emission between the initial state $i$ and final state $j$. | ||
| * ''Subband_KineticEnergy.txt'' contains the averaged kinetic energy for each level/subband $i$. Its calculation is given by: | * ''Subband_KineticEnergy.txt'' contains the averaged kinetic energy for each level/subband $i$. Its calculation is given by: | ||
| $$ \langle E_i \rangle = \frac{ \sum_{k} ~ p_{i,k} ~ E_{\parallel}(k)}{\sum_{k} ~ p_{i,k}}, $$ where $E_{\parallel}(k)$ is the in-plane kinetic energy. | $$ \langle E_i \rangle = \frac{ \sum_{k} ~ p_{i,k} ~ E_{\parallel}(k)}{\sum_{k} ~ p_{i,k}}, $$ where $E_{\parallel}(k)$ is the in-plane kinetic energy. | ||
| Line 157: | Line 174: | ||
| ==== 2D plots ==== | ==== 2D plots ==== | ||
| The folder ''2D_plots\'' contains 2D color maps as a function of **position [nm]** (horizontal axis) and **energy [eV]** (vertical axis). Note that these 2D plots show 2 QCL periods although only 1 period is simulated. | The folder ''2D_plots\'' contains 2D color maps as a function of **position [nm]** (horizontal axis) and **energy [eV]** (vertical axis). Note that these 2D plots show 2 QCL periods although only 1 period is simulated. | ||
| - | * ''DOS_energy_resolved.vtr'' / ''*.gnu'' / ''*.fld''\\ Energy-resolved local density of states (LDOS) in units of [eV<sup>-1</sup> nm<sup>-1</sup>]. The LDOS is related to the spectral function. It shows the available states for the electrons at $k_\parallel = 0$. | + | * ''DOS_energy_resolved.vtr'' / ''*.plt'' / ''*.fld''\\ Energy-resolved local density of states (LDOS) in units of [eV<sup>-1</sup> nm<sup>-1</sup>]. The LDOS is related to the spectral function. It shows the available states for the electrons at $k_\parallel = 0$. |
| - | * ''CarrierDensity_energy_resolved.vtr'' / ''*.gnu'' / ''*.fld''\\ Energy-resolved electron density $n(z,E)$ [cm<sup>-3</sup> eV<sup>-1</sup>]. It is related to the lesser Green's function $\mathbf{G}^<$. | + | * ''CarrierDensity_energy_resolved.vtr'' / ''*.plt'' / ''*.fld''\\ Energy-resolved electron density $n(z,E)$ [cm<sup>-3</sup> eV<sup>-1</sup>]. It is related to the lesser Green's function $\mathbf{G}^<$. |
| - | * ''CurrentDensity_energy_resolved.vtr'' / ''*.gnu'' / ''*.fld''\\ Energy-resolved current density $j(z,E)$ [A cm<sup>-2</sup> eV<sup>-1</sup>]. | + | * ''CurrentDensity_energy_resolved.vtr'' / ''*.plt'' / ''*.fld''\\ Energy-resolved current density $j(z,E)$ [A cm<sup>-2</sup> eV<sup>-1</sup>]. |
| + | |||
| + | For different extensions of 2D outputs, please also see [[qcl:advanced_settings#output_format_for_2d_plots|advanced settings in the input file]]. | ||
| ==== Gain ==== | ==== Gain ==== | ||
| The folder ''Gain\'' contains one- and two-dimensional plots of the intensity gain simulated. A negative value of gain corresponds to absorption. | The folder ''Gain\'' contains one- and two-dimensional plots of the intensity gain simulated. A negative value of gain corresponds to absorption. | ||
qcl/simulation_output.1629736141.txt.gz · Last modified: 2021/08/23 16:29 by takuma.sato
