Release notes#

Last update: 2026-07-03

3.0.0 from 2026-06-16#

Within quantum{}

  • quantum{ split_region{ } } has been removed form quantum{ } and reintroduced as a group splitquantum{ region{ } }. Definitions within splitquantum{ } are independent of these in quantum{ }.

  • quantum{ region{ output_wavefunctions{ } } } has been renamed to quantum{ region{ output_states{ } } } with multiple nested keywords restructures.

  • quantum{ region{ output_gibbs_densities{ } } } has been introduced

  • When nodensity = yes then occupation.dat is not generated for the given region.

  • Output of quantum states - renaming output files in /bias_00000/Quantum/*/*/

    • amplitudes_*.dat changes to envelopes_*.dat and amplitude_*.fld changes to envelope_*.fld

  • Envelopes are output by default

  • Keywords quantum{ region{ kp_8band{ k_integration_disabled{ } } } } and quantum{ region{ kp_6band{ k_integration_disabled{ } } } } are introduced and required if quantum{ region{ kp_8band{ k_integration{ } } } } or quantum{ region{ kp_6band{ k_integration{ } } } } are not defined.

Within classical{}

  • classical{ zero_negative_masses } has been introduced to handle negative effective masses in controlled way.

Output related to optics{ quantum_spectra{ } }

  • Indexing of states used for calculation of optical spectra has been refactored; Now they are ordered by energies.

  • Consistently, folder names containing information of transitions between 1-band models have been reordered; Now valence bands are mentioned first, then conduction bands. Example: Gamma_HH changes to HH_Gamma

  • Finally, the order of indexing in output file names is changed accordingly for 1-band models such that indices of holes (lower values) are written first, then of electrons (higher values). Example: bias_00000/OpticsQuantum/*/Gamma_HH/transition_dispersion_TEy_0021_0001.fld changes to /bias_00000/OpticsQuantum/*/HH_Gamma/transition_dispersion_TEy_0001_0021.fld

All linear solvers

  • More choices is available for all linear solvers: cg, cscg, and bicgstab.

  • strain{ linear_solver{ use_cscg } } has been replaced by strain{ linear_solver{ method } }

  • quantum{ region{ kp_8band{ arpack_inv{ linear_solver{ use_cscg } } } } } has been replaced by quantum{ region{ kp_8band{ arpack_inv{ linear_solver{ method } } } } }

  • currents{ linear_solver{ use_cscg } } has been replaced by currents{ linear_solver{ method } }

  • currents{ linear_solver{ force_iteration } } has been removed

Multiple groups

  • Renaming of all instances of min_energy, max_energy, min_energy_rel, max_energy_rel, min_wavelength, and max_wavelength to energy_min, energy_max, energy_min_relative, energy_max_relative, wavelength_min, and wavelength_max, respectively.

Bugfixes

  • Minor for Linux

  • Important bugfix for the Schrödinger equation with separated variables, now related to splitquantum{ }.

  • Sign of output of carrier velocities and driving forces is corrected in the outputs velocity_electron*.*, velocity_hole*.*, force_electron*.*, and force_hole*.*.

Database

  • Versioning initiated.

  • Formatting has been refactored to allow for easier search of materials

  • All materials are listed on top of the database file.

Other

  • nextnano.MSB code has been separated from nextnano++.

  • Low temperatures are handled better accorss the entire code.

  • Multiple improvements of algorithm iteration

  • Negative effective mass for 1-band Schrödinger equation now throws an error: ERROR: QuantumDOS::getQuantumDOS(): Zero or negative effective transversal mass detected !!.

  • Extensions removed from executable files for macOS and Linux

  • Unit of output of power spectra has been changed to W m-2 eV-1

  • Time spend per solver not available any more as became incompatible with ongoing developments.

Updating input files

Script performing almost all keyword changes can be found in the installation location ./nextnano/yyyy_mm_dd/nextnano++/scripts. Run it as follows using PowerShell.

pwsh "nextnano++_update_input_files_from_2.4.27_to_3.0.0.ps1" -Directory "D:/folder_with_your_input_files"

If you are using one of the group quantum{ region{ kp_8band{} } } (quantum{ region{ kp_6band{ } } }) and quantum{ region{ kp_8band{ k_integration{ } } } } (quantum{ region{ kp_6band{ k_integration{ } } } }) is absent, then include the keywords quantum{ region{ kp_8band{ k_integration_disabled{ } } } } (quantum{ region{ kp_6band{ k_integration_disabled{ } } } }).

Table 21 Quick guide to manual updating input files from v 2.4.27 to v 3.0.0#

replace (v 2.4.27)

with (v 3.0.0)

comment

min_energy

energy_min

max_energy

energy_max

rel_min_energy

energy_min_relative

rel_max_energy

energy_max_relative

min_wavelength

wavelength_min

max_wavelength

wavelength_max

use_cscg = yes

method = cscg

use_cscg = no

method = cg

output_wavefunctions{

output_states{ spinor_composition = "yes"

only when in quantum{ region{ } }

output_wavefunctions{

output_states{

only when in splitquantum{ region{ } }

quantum{ split_region{

splitquantum{ region{

amplitudes = "yes"

envelopes = "yes"

amplitudes = "no"

envelopes = "no"

amplitudes = "S_X_Y_Z"

envelopes = "yes"

amplitudes = "CB_HH_LH_SO"

envelopes_CB_HH_LH_SO = "yes"

probabilities = "yes"

probabilities = "yes"

probabilities = "no"

probabilities = "no"

probabilities = "S_X_Y_Z"

probabilities_partial = "yes"

probabilities = "CB_HH_LH_SO"

probabilities_partial_CB_HH_LH_SO = "no"

2.4.27 from 2025-12-17#

Bugfixes

  • Important bugfix for 2D quantum densities

  • Minor for energy broadening, matrix elements in quantum, some IO problems

  • Unit of local residuals changed to the same as of charge densities

  • Assigning regions is more accurate, impacts integrated densities and assignment of materials or boundary.

Other

  • Underscores removed from labels just before brackets with units.

  • Fermi-Dirac functions in the asymptotic limit for low temperatures added.

  • Offsets in 14-band kp are not hard-coded to be zero anymore.

Database

  • Updated database for 30-band kp for single

  • Vacuum material added for zincblende

global{}

  • Now temperatures down to 1e-9 K are allowed

impurities{}

  • New keywords added: impurities{ acceptor{ fully_ionized{ } } and impurities{ donor{ fully_ionized{ } }.

  • Range of allowed values of impurities{ donor{ energy } and impurities{ acceptor{ energy } is reduced to [-10, 10].

poisson{}

  • Keywords poisson{ bisection{ residual } } and poisson{ bisection{ iterations } } are introduced.

quantum{}

  • Both real and imaginary parts of matrix elements are outputted.

  • Output of dipole moment oscillator strength removed as unphysical. Keywords quantum{ region{ dipole_moment_matrix_elements{ output_matrix_elements } } } and quantum{ region{ dipole_moment_matrix_elements{ output_oscillator_strengths } } } are removed as they became redundant.

  • The keywords quantum{ region{ quantize_x{ }, ... } } are removed from quantum{ region{ } }.

  • quantum{ split_region{ } } is introduced to manage Schrödinger equation decomposition triggered by quantum{ split_region{ quantize_x{ }, ... } }. Functionalities of the quantum{ split_region{ } } are properly reduced compared to quantum{ region{ } } as decomposed solutions have limited use.

  • quantum{ region{ output_wavefunctions{ structured } } } is removed.

optics{}

  • Broadening is now available for position-resolved spectra both semiclassical and quantum

  • Default output of band edges and band gaps is not boxed, again

Input files
  • Added

    • simulation comparing bulk models 1-band, 6-band, 8-band, 14-band, and 30-band for SiGe

    • script for variation of refractive index

    • freestanding 3D QW simulation

    • tutorial and simulation of DUV LED

    • tutorial and simulation of GaN HEMT

    • 2D transmission with CBR method of 3-terminal system

  • Modified

    • Harmonic Oscillator

    • Infinite quantum well

    • Electron States in Quantum Boxes

    • Ellipsoidal CdSe quantum dot

    • Two-dimensional electron gas in an AlGaN/GaN FET

  • Other

    • Many input files are renamed and reorganized (in progress)

    • Syntax update performed

2.3.9 from 2025-09-18#

Feature

  • dispersion{ output_inverse_masses{ } } and dispersion{ output_k_vectors{ } } has been added to all band models.

  • classical{ band_gap_reference }, strain{ threshold_delta1 }, and strain{ threshold_delta2 } has been introduced as temporary measures for removing density artifacts from semi-classical simulations of wurtzite materials with graded alloys containing AlN or ZnO.

Other

  • Minor bugfixes

2.2.3 from 2025-08-14#

General Changes

  • Performance improvement of computation of matrix elements,

  • Updates and improvements of eigenvalue solvers.

quantum{}

  • Direction attribute renamed to polarization and allowing complex vectors,

  • Keywords controlling eigenvalue solvers are reorganized in quantum{ region{ kp_8band{ } } }, quantum{ region{ kp_6band{ } } }, and analogous groups defining 1-band models.

optics{}

  • Possibility to define Kane energy for Fremi’s golden rule is added (may be temporary) with keywords optics{ quantum_spectra{ overlap_ep_kane } } and optics{ quantum_spectra{ overlap_e_holes } },

  • optics{ quantum_spectra{ use_kp8_EP } } is removed,

  • All matrix elements used for spectra can be now outputted,

  • Simplified polarization model is added to 1-band transitions,

  • optics{ quantum_spectra{ energy_min } } becomes required.

2.0.4 from 2025-07-02#

Bugfixes

  • various minor related to input file parser

  • general improvement of executable performance

  • minor related to bulk dispersions

  • minor related to k-integration

General Changes

  • Output units of all densities has been set back to 1018 cm-3

quantum{}

  • quantum{ region{ transition_energies{ all_k_points } } } added

  • For all keywords responsible for matrix element and transition energies KP6_Gamma{ }, HH_Gamma{ }, HH_L{ }, HH_X{ }, and so on are renamed to Gamma_KP6{ }, Gamma_HH{ }, L_HH{ }, X_HH{ }, and so on, respectively.

  • output_transition_energies has been removed from quantum{ region{ dipole_moment_matrix_elements{ } } }, quantum{ region{ momentum_matrix_elements{ } } }, and quantum{ region{ overlap_integrals{ } } }

  • complex polarization enabled

  • in quantum{ region{ momentum_matrix_elements{ } } } and quantum{ region{ dipole_moment_matrix_elements{ } } }, name and direction has been replaced with polarization{ name }, polarization{ re }, and polarization{ im }

  • there is a massive change in the structure of output files with more sub-folders

optics{}

  • there is a massive change in the structure of output files with more sub-folders

  • momentum matrix elements used to calculate optical spectra can be now outputted using output_transitions

  • important bugfix for spin factors for optical spectra with transitions between 1-band and k.p models

1.25.13 from 2025-04-25#

Bugfixes

  • Important bugfix for state classification in optics

  • Bugfix for importing generation rates for periodic structures

  • Output of matrix elements is restored

  • Minor for interband matrix elements and number of states

General Changes

  • Further improvements of convergence when currents are solved, different residuals may be needed to obtain meaningful solutions.

  • Solver for optical spectra with Fermi’s golden rule

  • Improved convergence for current-poisson

  • Output units of all densities has been set to cm-3

classical{}

  • New keyword classical{ limit_classical_density } introduced to allow improving convergence of classical Poisson in certain cases

  • New 1-band band structures of bulk materials for valleys \(X\), \(\Delta\), and \(L\) can be now output with new keywords: classical{ bulk_dispersion{ X{ } } }, classical{ bulk_dispersion{ Delta{ } } }, and classical{ bulk_dispersion{ L{ } } }

  • Better control of the 8-band \(\mathbf{k} \cdot \mathbf{p}\) model is now available for bulk electronic band structures via keywords classical{ bulk_dispersion{ KP8{ electron_far_band } } }, classical{ bulk_dispersion{ KP8{ correct_electron_gfactor } } }, classical{ bulk_dispersion{ KP8{ rescale_kp_everywhere } } }, and classical{ bulk_dispersion{ KP8{ avoid_spurious } } }

contacts{}

  • New keyword for defining bias ramping along selected bias paths is introduced contact{ bias_steps }, contact{ reuse_previous }, and contact{ bias_output_level } are introduced.

  • Previously used keywords contacts{ ...{ steps{} } } remain available with old behavior when used for sweeping bias for only one contact, but becomes obsolete and are going to be removed in the future.

currents{}

  • Allowed range of values for currents{ minimum_density_electrons }, currents{ minimum_density_holes }, currents{ maximum_density_electrons }, currents{ maximum_density_holes } has been readjusted.

  • Definition, defaults, and range of currents{ linear_solver{ rel_accuracy } } has been changed.

poisson{}

  • New initialization method for Poisson equation has been introduced with a keyword poisson{ zero_charge{ } }. It provides better convergence conditions for certain simulations.

  • Definition, defaults, and range of poisson{ linear_solver{ rel_accuracy } } has been changed.

run{}

  • Maximum and minimum densities entering the current equations can be controlled separately for algorithms with and without the Schrödinger equations using keywords run{ current_poisson{ minimum_density_electrons } }, run{ current_poisson{ minimum_density_holes } }, run{ current_poisson{ maximum_density_electrons } }, run{ current_poisson{ maximum_density_holes } }, run{  quantum_current_poisson{ minimum_density_electrons } }, run{  quantum_current_poisson{ minimum_density_holes } }, run{  quantum_current_poisson{ maximum_density_electrons } }, and run{  quantum_current_poisson{ maximum_density_holes } }

  • The current equation can be additionally solved at the end with new keywords run{ current_poisson{ smooth_currents } } and run{ quantum_current_poisson{ smooth_currents } }

strain{}

  • Definition, defaults, and range of strain{ linear_solver{ rel_accuracy } } has been changed.

quantum{}

  • quantum{ region{ quantize_x } }, quantum{ region{ quantize_y } }, quantum{ region{ quantize_z } } are now allowed for wurtzites.

  • More options allowed for state classification with groups quantum{ region{ kp_8band{ classify_none{} } } }, quantum{ region{ kp_8band{ classify_by_energy{} } } }, quantum{ region{ kp_8band{ classify_by_all_energies{} } } }, quantum{ region{ kp_8band{ classify_by_spinor{} } } }, and quantum{ region{ kp_8band{ classify_by_all_spinors{} } } }.

  • spin quantization direction can be selected using quantum{ region{ spin_quantization_axis } }

  • quantum{ region{ interband_matrix_elements{ } } } and quantum{ region{ intraband_matrix_elements{ } } }, with related outputs, have been finally properly named as quantum{ region{ overlap_integrals{ } } } and quantum{ region{ momentum_matrix_elements{ } } }, respectively.

1.22.18 from 2024-12-18#

  • More Dirac deltas are possible to add to imaginary part of dielectric function for Kramers-Kronig relations; See new keywords in optics{ quantum_spectra{ kramers_kronig{ } } }.

  • Experimental implementation of position resolved optical spectra, see optics{ quantum_spectra{ local_absorption } }, optics{ quantum_spectra{ local_spontaneous_emission } }, and optics{ quantum_spectra{ output_local_spectra{ } } }.

  • Major changes in optics{ } group related to calling models and controlling output.

  • Bugfixes for optics{ light_propagation{ } }

  • New incomplete ionization model, see impurities{ acceptor{ N_ref } } and impurities{ acceptor{ c } }.

  • Allowed range of values for currents{ minimum_density_electrons } and currents{ minimum_density_holes } is increased - lower values are available now.

  • Improvement of diagnostic output for k.p models.

  • Multiple fixes related to missing units and incorrect labels for 2D and 3D simulations.

  • Improved output of integrated densities, see bias_*\total_charges.txt.

  • Hardened security for script postprocessing, see postprocessor{ } and Command line.

  • Bugfix for B parameter of band k.p models.

  • Important improvements of implementation of the interface Hamiltonian.

  • Multiple bugfixes in drift-diffusion solver resulting in improvement of convergence for many simulations with currents, especially for 2D and 3D simulations.

  • Integrals of total current around contact improved with visible impact on I-V characteristics for 2D and 3D simulations.

  • Added output of summary log file summary.log.

1.20.8 from 2024-08-22#

  • Important bugfixes and multiple improvements of the code for optical spectra

  • Important bugfix for poisson equation for wurtzite simulations in 1D

  • Output keywords related to piezo- and pyroelectric charges, and polarization vectors has been changed. Related output files are named differently; Still, they can be found in the folder Strain.

  • total_charges.txt now includes also integrals of piezo- and pyroelectric charges.

  • optics{ semiclassical_spectra{ output_spectra{ emission } } }, optics{ semiclassical_spectra{ output_spectra{ photon_spectra } } }, and optics{ semiclassical_spectra{ output_spectra{ power_spectra } } } has been placed by optics{ semiclassical_spectra{ output_spectra{ emission_photons } } } and optics{ semiclassical_spectra{ output_spectra{ emission_power } } }

  • optics{ semiclassical_spectra{ output_local_spectra{ emission } } }, optics{ semiclassical_spectra{ output_local_spectra{ photon_spectra } } }, and optics{ semiclassical_spectra{ output_local_spectra{ power_spectra } } } has been placed by optics{ semiclassical_spectra{ output_local_spectra{ emission_photons } } } and optics{ semiclassical_spectra{ output_local_spectra{ emission_power } } }

  • optics{ quantum_spectra{ k_integration{ symmetry } } } is removed as was not bringin expected improvement of computantional performance.

  • structure{ integrate{ ionized_donor_density{ } } }, structure{ integrate{ ionized_acceptor_density{ } } }, and structure{ integrate{ fixed_charge_density{ } } } are introduced.

  • currents{ electron_mobility{ } } has been deprecated and fully replaced by functionality of currents{ electron_mobility{ } } and currents{ hole_mobility{ } }

  • currents{ electron_mobility{ high_field_model{ } } } has been deprecated and replaced by currents{ electron_mobility{ high_field_model } }

1.19.61 from 2024-06-28#

  • improvements and bugfixes for optics{ quantum_optics{ } }

  • excitons added to spectrum components output

  • grid{ xgrid{ repeat{ } } }, grid{ xgrid{ repeat2{ } } }, grid{ ygrid{ repeat{ } } }, grid{ ygrid{ repeat2{ } } }, grid{ zgrid{ repeat{ } } }, grid{ xgrid{ repeat2{ } } } becomes deprecated

  • optics{ quantum_spectra{ make_spin_degenerate } } becomes deprecated

1.19.49 from 2024-06-17#

  • region{ repeat_x }, region{ repeat_y }, region{ repeat_z }, region{ repeat2_x }, region{ repeat2_y }, region{ repeat2_z } becomes deprecated

  • Initial implementation of interface Hamiltonian for 8-band zincblende \(\mathbf{k} \cdot \mathbf{p}\), quantum{ region{ kp_8band{ interface{...} } } }

  • Multiple improvements and bugfixes for optics{ }

  • Minor bugfix for exchange correlation

1.19.22 from 2024-05-14#

  • missing terms added to the 14- and 30-band \(\mathbf{k} \cdot \mathbf{p}\) models

  • minor bugfix for strain in the 14- and 30-band \(\mathbf{k} \cdot \mathbf{p}\) models

  • other minor bugfixes

1.19.17 from 2024-04-28#

currents{ }

  • import_electron_fermi_level{ } and import_hole_fermi_level{ } are introduced.

optics{ }

  • light_propagation{ use_local_absorption{ } } got renamed to light_propagation{ use_computed_absorption{ } }

  • light_propagation{ use_local_absorption{ } } reintroduced with different functionality

  • multiple output settings added to light_propagation{ }, photogeneration{ }, and semiclassical_spectra{ }

1.18.63 from 2024-03-24#

quantum{ }

  • davidson{} group introduced for 8-band \(\mathbf{k} \cdot \mathbf{p}\) model

  • force_pauli_solver{} group introduced for all one-band models

optics{ }

  • bugfix for irradiation{ illumination{ direction_* } } }, now negative values are properly processed

  • improvement of an existing feature optics{ quantum_region{output_spectra{ output_components } } } has different type and allows to output components of all spectra.

  • syntax change from irradiation{ photo_generation{ output_spectrum{} } } to irradiation{ photo_generation{ output_integrated{} } }

  • syntax change from irradiation{ output_light_field } to irradiation{ photo_generation{ output_light_intensity }

  • optics{ emission_spectrum{ output_spectra{ stimulated_emission } } } removed

  • optics{ emission_spectrum{ output_local_spectra{} } } introduced

  • in multiple places absorption and decadic_absorption renamed to absorption_coeff and decadic_absorption_coeff

  • photogeneration{ } updated and allowing to use computed generation rates within running simulation

  • energy grid definitions are notably changed and partially moved to the group grid{}

  • major groups emission_spectrum{} and quantum_region{} are renamed to semiclassical_spectra{} and quantum_spectra{}, respectively.

  • light_propagation{} is introduced

classical{ }

  • output_energy_resolved_densities{} moved inside energy_resolved_density{}

  • output_LDOS{} group introduced

  • bulk_dispersion{ KP30{ } } introduced following [RideauPRB2006]

  • energy grid definitions from grid{} are used for densities

grid{}

  • energy grid definitions introduced

run{ }

  • solve_strain{ }, solve_poisson{ }, solve_current_poisson{ }, solve_quantum{ }, outer_iteration{} become deprecated and not supported anymore

database{ }

  • complex refractive index is supported by optical_refractive_index{}

  • extensive changes in the database relating to optics{ } group

command line

  • -r, --resume option has been removed

1.17.20 from 2023-08-07#

general input syntax

  • !DATA statement got introduced for post-processor

  • !TEXT and !ENDTEXT statements introduced for multi-line comments

classical{ }

  • output_band_densities{} is introduced

  • bulk_dispersion{} is moved from quantum{ } with a slight syntax change

  • Bulk dispersions within 1-band models can be now also included in the output (offset might be still incorrect)

optics{ }

  • spin_align is back after reviewing its functionality. Default value is changed to no

  • make_spin_degenerate

currents{ }

  • robust atribute is introduced to enhance accuracy of bisection algorithm.

  • eastman4{} group is introduced to allow alternative parametrization of the Eastman-Tiwari-Shur mobility model

  • electron_contact and hole_contact introduced to increase accuracy of quasi-Fermi levels

contacts{ }

  • bisection algorithm initializing ohmic and charge-neutral contacts is enhanced

run{ }

  • the group becomes required

  • an attribute output_local_residuals is introduced for multiple groups

quantum{ }

  • computing matrix elements for multiple polarization in one simulation is again possible within groups intraband_matrix_elements{} and dipole_moment_matrix_elements{}

  • bulk_dispersion{} is moved to classical{ }

postprocessor{}

  • entirely new group introduced to generate and run batch scripts after simulations

1.14.33 from 2023-05-12#

optics{ }

  • syntax change in k_integration{}: num_integrationpoint is introduced, num_subpoints is removed

  • spin_align is removed

  • occupation_const_fermilevel is renamed to occupation_zero_fermilevel

  • classify_states and classification_threshold becomes available

  • multiple improvements of the model

  • optics for transitions between two 1-band models and between 1-band and 6-band remains under heavy development

quantum{ }

  • definition of leads become mandatory for modeling transport with CBR method related syntax becomes improved and contained within a group lead{}

1.13.0 from 2023-02-19#

optics{ }

  • bug fix of sweeping bias related while computing optical spectra

  • improvements of excitons{}

currents{ }

  • new output group output_forces{} introduced

  • electron_contact and hole_contact are introduced to allow enhanced accuracy for current equation around selected contacts

quantum{ }

  • cbr{} group has been moved into the quantum group

  • ldos choice attribute has been added to the quantum{ cbr {} } group

1.12.35 from 2022-12-17#

In this release we introduced further syntax changes aiming at improving clarity of calling models. Selected bowing parameters of band edges has been updated in the default database. Multiple new sample input files are added to the installer. All input files with containing updated syntax.

output{ }

  • output{ section1D{} } requires specifying at least two attributes x, y, and z for 3D simulations.

currents{ }

  • New high-field mobility models (Hänch, Transferred-electron, Eastman-Tiwari-Shur) are implemented

  • Improvement of algorithm convergence in case of using high-field velocities

quantum{ }

  • Bug fix and syntax change relating computation of lifetimes, see quantum{ region{ lifetimes} } }

  • Model of excitons within effective mass approximation is implemented, see quantum{ regon{ excitons {} } }

optics{ }
  • Major syntax change has been implemented. From now on:

    • this group contains all keywords related to optical spectra - groups emission_spectrum{} and irradiation{} are included in this group, see here

    • group region{} has been renamed to quantum_region{}

  • Excitonic effects can be included in spectra computations by calling excitons{} group.

  • Bug fix related to symmetry attribute

classical{ }

  • Major syntax change - groups emission_spectrum{} and irradiation{} has been removed from this group.

  • From now on, this group relates only to choice of band edges and density outputs for semi-classical computations

strain{ }

  • strain relaxation is initially implemented for entire by a scaling factor of all tensor elements, see strain{ relaxation {} }

run{ }

  • calling quantum-optical simulation has been changed: optics{ } is renamed to quantum_optics{ }

1.10.19 from 2022-08-09#

In this release we introduced some syntax changes and number of new keywords. Some algorithms got notably improved. We fixed number of bugs.

classical{ }

Default behavior of an attribute refractive_index has been changed. New Attributes are:

  • energy_broadening_gaussian

  • energy_broadening_lorentzian

optics{ }

Some algorithms have been improved so the group is faster. Number of new keywords has been introduced:

  • enable_hole_hole

  • enable_electron_hole

  • enable_electron_electron

  • photon_spectra

  • power_spectra

  • use_for_emission

poisson{ }

Self-consistent algorithm has been improved and convrges quicker. Behavior and way of initialising Poisson-equation solver has been improved. Related groups and attributes are:

  • import_potential{}

  • electric_field{}

  • between_fermi_levels{}

  • charge_neutral{} - it was an atribute before

  • reference_potential

strain{ }

Rules of calling inside the group have changed. Related groups are:

  • no_strain{ } - a new group

  • pseudomorphic_strain{ }

  • minimized_strain{ }

  • import_strain{ }

1.9.92 (2022-06-08)#

In this release we added support for decadic attenuation units (dB/\(\mu m\)) and new output options inside of optics{ } mirroring the corresponding functionality in classical{ }. Gain in classical{ } is now defined as the positive part of (minus absorption).

classical{ }

Introduced attributes are:

  • decadic_absorption

  • decadic_gain

  • decadic_absorption_unit

optics{ }

Introduced attributes are:

  • decadic_absorption

  • decadic_gain

database{ }

Introduced attribute are:

  • decadic_absorption

EARLIER#

  • Added periodic repetition of quantum regions

  • Added electron injection (e.g. by electron beam) into structure definition

  • Integration of nextnano.MSB into nextnano++, incl. nextnano.MSB sample files into installer

  • Output reflection components of CBR transmissions

  • New 2D CBR input files (QPC)

  • Synonyms in material database (e.g. Al(x)In(x)As and In(x)Al(1-x)As)

  • Calculation of reflection and extinction coefficient

  • Gaussian and Lorentzian broadening for optical absorption

  • Improvements for optical absorption (k.p)

  • Improvements for k.p (speed: k=0 subspace expansion)

  • Added more tutorial input files to samples folder

  • New UVC LED AlGaN/GaN input files

  • Improvements for intersubband absorption (k.p)

  • Solar cell features, irradiation

  • Added quaternaries and quinternaries to database; AlScN, AlYN, …

  • Added XML support to input files

  • New region objects: circle/sphere

  • New region objects: triangle, polygonal_prism, regular_prism, hexagonal_prism, polygonal_pyramid, regular_pyramid, hexagonal_pyramid

  • Array of different biases is allowed in addition to bias sweep using steps

  • Output of emission spectrum for LEDs based on classical or quantum density

  • Output of energy resolved density n(E) and n(x,E)

  • Improved convergence and speed for current calculations

  • More intuitive setting in run{ }

  • MOSFET tutorial

ADDITIONAL NOTES

Note

The group contact{ ohmic{} } behaves like contact{ charge_neutral{} } by default since 2019-01-23, and it additionally contains a shift attribute.

Note

Currently, the group contacts{ zero_field{} } behaves like contact{ ohmic{} } before, until 2019-01-23.