hetero1d 0.1.0__tar.gz

hetero1d-0.1.0/LICENSE

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+MIT License
+
+Copyright (c) 2026 Ravi Kumar
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

hetero1d-0.1.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: hetero1d
+Version: 0.1.0
+Summary: 1D semiconductor heterostructure solver: quantum wells, superlattices, electric and magnetic fields
+Author-email: Ravi Kumar <rkravi365@gmail.com>
+License: MIT
+Project-URL: Homepage, https://github.com/erw-del/hetero1d
+Keywords: semiconductor,quantum well,heterostructure,superlattice,Schrodinger,Poisson,physics
+Classifier: Programming Language :: Python :: 3
+Classifier: License :: OSI Approved :: MIT License
+Classifier: Operating System :: OS Independent
+Classifier: Topic :: Scientific/Engineering :: Physics
+Classifier: Intended Audience :: Science/Research
+Requires-Python: >=3.8
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: numpy>=1.20
+Requires-Dist: scipy>=1.7
+Requires-Dist: matplotlib>=3.3
+Provides-Extra: test
+Requires-Dist: pytest; extra == "test"
+Dynamic: license-file
+
+# hetero1d
+
+**A complete 1D semiconductor heterostructure solver in Python.**
+Design quantum wells, multiple wells, superlattices or any layer stack from
+III-V materials and compute electronic, optical, transport and magneto-optical
+properties: under electric and magnetic fields, at any temperature, with or
+without doping.
+
+Method: effective-mass envelope-function approximation, BenDaniel-Duke
+finite differences with position-dependent mass.
+
+---
+
+## What it can compute
+
+| Category | Quantities |
+|---|---|
+| **Structure** | Band profile Ec(z), Ev(z); band gaps, offsets, masses, g-factors of every layer; lattice-mismatch warning |
+| **Quantum states** | Electron, heavy-hole and light-hole subband energies and wavefunctions; bound/continuum classification |
+| **State analysis** | Probability in each layer, mean position ⟨z⟩, spatial spread, effective mass of each state |
+| **Intersubband optics** | Transition energies and wavelengths, dipole matrix elements z_ij, oscillator strengths, **absolute absorption spectrum** (per pass) |
+| **Interband optics** | e-hh and e-lh transition energies and wavelengths, electron-hole overlaps, absorption spectrum (TE) |
+| **Carrier statistics** | 2D density of states, Fermi level, population of each subband (Fermi-Dirac, any temperature) |
+| **Scattering** | LO-phonon intersubband scattering rates and lifetimes (Fröhlich interaction) |
+| **Transport / tunnelling** | Transmission coefficient T(E), resonant tunnelling, resonance widths |
+| **Superlattices** | Miniband energies and widths, Bloch dispersion E(q) |
+| **Doped structures** | Self-consistent Schrödinger-Poisson: band bending, electron density, Fermi level |
+| **Electric field** | Stark shifts, quantum-confined Stark effect (QCSE), field-dependent overlaps, dipoles and intersubband energies |
+| **Magnetic field ∥ z** | Landau levels, spin Zeeman splitting, Landau fan, Landau-level DOS, filling factor, Fermi level vs B (Shubnikov-de Haas-like oscillations) |
+| **Magnetic field ∥ plane** | Diamagnetic shift, in-plane dispersion E_n(k_y) |
+| **Materials** | 12 binaries, 17 ternaries, 4 quaternaries, temperature-dependent band gaps, lattice matching, user-defined materials |
+
+**Materials included**
+- Binaries: GaAs, AlAs, InAs, InP, GaSb, AlSb, GaP, AlP, InSb, GaN, AlN, InN (nitrides: zinc-blende, approximate)
+- Ternaries: AlGaAs, InGaAs, InAlAs, GaAsSb, AlGaSb, InGaP, InAsSb, InGaSb, InAlSb, AlAsSb, InAsP, GaAsP, AlGaP, InAlP, AlGaN, InGaN, InAlN
+- Quaternaries: InGaAsP, InGaAsSb, AlGaInAs, AlGaInP
+
+---
+
+## Installation
+Directly from GitHub:
+```bash
+pip install git+https://github.com/erw-del/hetero1d.git
+```
+or download the code, then inside the folder:
+```bash
+pip install -e .
+```
+Requires Python ≥ 3.8, numpy, scipy, matplotlib (installed automatically).
+
+Run all built-in examples (saves 8 figures):
+```bash
+hetero1d-demo
+```
+
+---
+
+## Quick start
+```python
+import numpy as np
+from hetero1d import Structure, Solver
+
+# Al0.3Ga0.7As 40 nm | GaAs 20 nm | Al0.3Ga0.7As 40 nm
+s = Structure.single_well(well="GaAs", barrier=("AlGaAs", 0.3), Lw=20, Lb=40)
+s.describe()                         # band edges, masses, g-factors of each layer
+
+sol = Solver(s, T=300).solve(n_e=6, n_h=6)
+sol.report(n2d_cm2=5e11)             # all results as tables
+sol.plot_summary("result.png")       # 6-panel figure
+```
+Energies are on an absolute scale (GaAs conduction-band edge = 0.6225 eV at 300 K).
+The report's "E-edge" column gives each level measured from the well bottom.
+
+---
+
+## 1. Building structures
+
+Change `Lw` (well width) and `Lb` (barrier width), in nm.
+
+```python
+# single well
+s = Structure.single_well(well="GaAs", barrier=("AlGaAs", 0.3), Lw=20, Lb=40)
+
+# several wells with different widths (Lb = inner barriers, Lb_out = outer barriers)
+s = Structure.multi_well(3, well="GaAs", barrier=("AlGaAs", 0.3),
+                         Lw=[15, 10, 20], Lb=[5, 8], Lb_out=30)
+
+# superlattice, 10 periods
+s = Structure.superlattice(10, well="GaAs", barrier=("AlGaAs", 0.3), Lw=5, Lb=2)
+
+# any layer stack, layer by layer (thickness nm, optional doping cm^-3)
+s = Structure()
+s.add("AlGaAs", 40, x=0.3).add("GaAs", 20).add("AlGaAs", 5, x=0.3)
+s.add("GaAs", 10).add("AlGaAs", 40, x=0.3, doping=1e17)
+
+# other materials and substrates
+s = Structure.single_well(well=("InGaAs", 0.53), barrier=("InAlAs", 0.52),
+                          Lw=8, Lb=20, substrate="InP")
+
+# quaternary: Ga_x In_(1-x) As_y P_(1-y)
+s = Structure.single_well(well=("InGaAsP", 0.39, 0.85), barrier="InP",
+                          Lw=8, Lb=20, substrate="InP")
+```
+
+## 2. Materials
+```python
+from hetero1d import material, list_materials, lattice_matched, add_material
+
+list_materials()                                  # all materials and what x, y mean
+m = material("AlGaAs", x=0.3, T=300)              # all parameters as a dict
+print(m["Eg"], m["Ec"], m["Ev"], m["me"], m["g"])
+
+x = lattice_matched("InGaAs", "InP")              # -> 0.534
+x = lattice_matched("InGaAsP", "InP", fixed=("y", 0.85))
+
+add_material("MyMat", Ec=0.70, Ev=-0.75, me=0.07, mhh=0.4, mlh=0.08, eps_s=12.5)
+```
+
+## 3. Energies, wavefunctions and state analysis
+```python
+sol = Solver(s, T=300).solve(n_e=6, n_h=6)
+
+sol.Ee, sol.psi_e          # electron energies (eV) and wavefunctions on grid sol.z (nm)
+sol.Ehh, sol.psi_hh        # heavy holes
+sol.Elh, sol.psi_lh        # light holes
+sol.e_bound                # True for bound states
+E_meV = (sol.Ee - sol.Ec.min()) * 1000            # energies above the well bottom
+
+sol.layer_probabilities(sol.psi_e[:, 0])          # probability in each layer
+zmean, spread = sol.expect_z(sol.psi_e[:, 0])     # <z> and spatial spread (nm)
+```
+
+**Save to CSV** (opens in Excel / Origin):
+```python
+data = np.column_stack([sol.z, sol.Ec, sol.Ev, sol.psi_e, sol.psi_hh])
+header = "z_nm,Ec_eV,Ev_eV," + \
+         ",".join(f"psi_e{i}" for i in range(sol.psi_e.shape[1])) + "," + \
+         ",".join(f"psi_hh{i}" for i in range(sol.psi_hh.shape[1]))
+np.savetxt("wavefunctions.csv", data, delimiter=",", header=header, comments="")
+
+np.savetxt("energies.csv",
+           np.column_stack([np.arange(len(E_meV)), sol.Ee, E_meV, sol.e_bound]),
+           delimiter=",", header="n,E_eV,E_above_well_meV,bound", comments="")
+```
+
+## 4. Intersubband optics (quantum-well infrared photodetectors, cascade lasers)
+```python
+for t in sol.intersubband():      # i, j, dE (eV), lam_um, z (nm), f
+    print(t["i"], "->", t["j"], t["dE"]*1000, "meV", t["lam_um"], "um", "f =", t["f"])
+
+E = np.linspace(0.01, 0.3, 1000)                              # photon energy (eV)
+A = sol.isb_absorption(E, n2d_cm2=5e11, gamma=0.005)          # absorption per pass (fraction)
+```
+
+## 5. Interband optics (lasers, LEDs, photoluminescence)
+```python
+for t in sol.interband()[:5]:     # e, h, band ('hh'/'lh'), E (eV), lam_nm, overlap2
+    print(f"e{t['e']}-{t['band']}{t['h']}: {t['E']:.4f} eV, {t['lam_nm']:.1f} nm")
+
+E = np.linspace(1.4, 1.7, 1000)
+A = sol.interband_absorption(E, gamma=0.005)                  # relative units
+```
+
+## 6. Carrier statistics
+```python
+EF, populations = sol.fermi_level(5e11)    # Fermi level (eV), cm^-2 in each subband
+```
+
+## 7. LO-phonon scattering
+```python
+for t in sol.lo_phonon_rates():            # i, f, dE, rate (1/s), tau_ps
+    print(t["i"], "->", t["f"], f"{t['tau_ps']:.3f} ps")
+```
+
+## 8. Tunnelling and transmission
+```python
+rtd = Structure()                          # double-barrier resonant tunnelling diode
+rtd.add("GaAs", 20).add("AlGaAs", 5, x=0.3).add("GaAs", 6).add("AlGaAs", 5, x=0.3).add("GaAs", 20)
+r = Solver(rtd, dz=0.02)
+E = np.linspace(0.67, 0.70, 20000)
+T = r.transmission(E)                      # T(E) between 0 and 1
+```
+
+## 9. Superlattice minibands
+```python
+sl = Structure.superlattice(10, well="GaAs", barrier=("AlGaAs", 0.3), Lw=5, Lb=2)
+q, d, bands = Solver(sl).minibands(np.linspace(0.62, 1.22, 6000))
+print(bands)                               # list of (E_min, E_max) for each miniband
+```
+
+## 10. Doped structures: Schrödinger-Poisson
+```python
+s = Structure()
+s.add("AlGaAs", 30, x=0.3).add("AlGaAs", 10, x=0.3, doping=3e17).add("AlGaAs", 10, x=0.3)
+s.add("GaAs", 15).add("AlGaAs", 10, x=0.3).add("AlGaAs", 10, x=0.3, doping=3e17).add("AlGaAs", 30, x=0.3)
+sol = Solver(s, T=77).schrodinger_poisson()
+sol.solve()
+sol.VH, sol.n3d, sol.EF                    # Hartree potential, electron density, Fermi level
+```
+
+## 11. Electric field
+```python
+sol = Solver(s, field=50).solve()                       # 50 kV/cm along z
+r = sol.stark_sweep(np.linspace(-80, 80, 33))           # dict: E_e0hh0, ov_e0hh0, E01, z01, ...
+sol.plot_stark("stark.png", np.linspace(-80, 80, 33))   # QCSE, overlap, intersubband vs field
+```
+
+## 12. Magnetic field
+```python
+# B along the growth axis: Landau levels and Zeeman splitting
+sol = Solver(s, T=4.2, Bz=5).solve()
+sol.g_factor(0)                         # electron g-factor of subband 0
+sol.zeeman()                            # spin splitting of each subband (eV)
+sol.landau_levels(N_max=10)             # list of Landau levels
+sol.fermi_level_B(3e11)                 # Fermi level in the field
+sol.plot_magnetic("landau.png", np.linspace(0.5, 10, 200), n2d_cm2=3e11)
+
+# B in the layer plane: diamagnetic shift and dispersion
+sol = Solver(s, T=4.2, Bpar=10).solve()
+E_ky = sol.inplane_dispersion(np.linspace(-0.2, 0.2, 41))
+```
+
+## 13. Other options
+```python
+Solver(s, T=77)             # temperature (K), band gaps follow Varshni law
+Solver(s, dz=0.05)          # finer grid (nm), default 0.1
+```
+
+---
+
+## Validation
+| Test | Reference | hetero1d |
+|---|---|---|
+| 10 nm GaAs/Al0.3Ga0.7As, E1 | 30.842 meV (exact analytic) | 30.850 meV |
+| Double-barrier resonance | 61.95 meV (well level) | T = 1.0000 at 61.91 meV |
+| In0.53Ga0.47As/In0.52Al0.48As ΔEc | ≈ 0.52 eV (literature) | 0.522 eV |
+| Landau spacing, 5 T | ħeB/m* | exact |
+| In-plane diamagnetic shift, 1 T | 2nd-order perturbation theory | 0.0235 meV (identical) |
+
+## Model limits
+Single-band effective mass (no k·p band mixing, no non-parabolicity), Γ valley only
+(X/L valleys not included), no strain, nitrides without polarisation fields,
+Zeeman and Landau levels for electrons only.
+
+## Parameters
+I. Vurgaftman, J. R. Meyer, L. R. Ram-Mohan, J. Appl. Phys. 89, 5815 (2001);
+nitrides: I. Vurgaftman, J. R. Meyer, J. Appl. Phys. 94, 3675 (2003).
+
+## Author
+Ravi Kumar, 2026. MIT License.

hetero1d-0.1.0/README.md

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+# hetero1d
+
+**A complete 1D semiconductor heterostructure solver in Python.**
+Design quantum wells, multiple wells, superlattices or any layer stack from
+III-V materials and compute electronic, optical, transport and magneto-optical
+properties: under electric and magnetic fields, at any temperature, with or
+without doping.
+
+Method: effective-mass envelope-function approximation, BenDaniel-Duke
+finite differences with position-dependent mass.
+
+---
+
+## What it can compute
+
+| Category | Quantities |
+|---|---|
+| **Structure** | Band profile Ec(z), Ev(z); band gaps, offsets, masses, g-factors of every layer; lattice-mismatch warning |
+| **Quantum states** | Electron, heavy-hole and light-hole subband energies and wavefunctions; bound/continuum classification |
+| **State analysis** | Probability in each layer, mean position ⟨z⟩, spatial spread, effective mass of each state |
+| **Intersubband optics** | Transition energies and wavelengths, dipole matrix elements z_ij, oscillator strengths, **absolute absorption spectrum** (per pass) |
+| **Interband optics** | e-hh and e-lh transition energies and wavelengths, electron-hole overlaps, absorption spectrum (TE) |
+| **Carrier statistics** | 2D density of states, Fermi level, population of each subband (Fermi-Dirac, any temperature) |
+| **Scattering** | LO-phonon intersubband scattering rates and lifetimes (Fröhlich interaction) |
+| **Transport / tunnelling** | Transmission coefficient T(E), resonant tunnelling, resonance widths |
+| **Superlattices** | Miniband energies and widths, Bloch dispersion E(q) |
+| **Doped structures** | Self-consistent Schrödinger-Poisson: band bending, electron density, Fermi level |
+| **Electric field** | Stark shifts, quantum-confined Stark effect (QCSE), field-dependent overlaps, dipoles and intersubband energies |
+| **Magnetic field ∥ z** | Landau levels, spin Zeeman splitting, Landau fan, Landau-level DOS, filling factor, Fermi level vs B (Shubnikov-de Haas-like oscillations) |
+| **Magnetic field ∥ plane** | Diamagnetic shift, in-plane dispersion E_n(k_y) |
+| **Materials** | 12 binaries, 17 ternaries, 4 quaternaries, temperature-dependent band gaps, lattice matching, user-defined materials |
+
+**Materials included**
+- Binaries: GaAs, AlAs, InAs, InP, GaSb, AlSb, GaP, AlP, InSb, GaN, AlN, InN (nitrides: zinc-blende, approximate)
+- Ternaries: AlGaAs, InGaAs, InAlAs, GaAsSb, AlGaSb, InGaP, InAsSb, InGaSb, InAlSb, AlAsSb, InAsP, GaAsP, AlGaP, InAlP, AlGaN, InGaN, InAlN
+- Quaternaries: InGaAsP, InGaAsSb, AlGaInAs, AlGaInP
+
+---
+
+## Installation
+Directly from GitHub:
+```bash
+pip install git+https://github.com/erw-del/hetero1d.git
+```
+or download the code, then inside the folder:
+```bash
+pip install -e .
+```
+Requires Python ≥ 3.8, numpy, scipy, matplotlib (installed automatically).
+
+Run all built-in examples (saves 8 figures):
+```bash
+hetero1d-demo
+```
+
+---
+
+## Quick start
+```python
+import numpy as np
+from hetero1d import Structure, Solver
+
+# Al0.3Ga0.7As 40 nm | GaAs 20 nm | Al0.3Ga0.7As 40 nm
+s = Structure.single_well(well="GaAs", barrier=("AlGaAs", 0.3), Lw=20, Lb=40)
+s.describe()                         # band edges, masses, g-factors of each layer
+
+sol = Solver(s, T=300).solve(n_e=6, n_h=6)
+sol.report(n2d_cm2=5e11)             # all results as tables
+sol.plot_summary("result.png")       # 6-panel figure
+```
+Energies are on an absolute scale (GaAs conduction-band edge = 0.6225 eV at 300 K).
+The report's "E-edge" column gives each level measured from the well bottom.
+
+---
+
+## 1. Building structures
+
+Change `Lw` (well width) and `Lb` (barrier width), in nm.
+
+```python
+# single well
+s = Structure.single_well(well="GaAs", barrier=("AlGaAs", 0.3), Lw=20, Lb=40)
+
+# several wells with different widths (Lb = inner barriers, Lb_out = outer barriers)
+s = Structure.multi_well(3, well="GaAs", barrier=("AlGaAs", 0.3),
+                         Lw=[15, 10, 20], Lb=[5, 8], Lb_out=30)
+
+# superlattice, 10 periods
+s = Structure.superlattice(10, well="GaAs", barrier=("AlGaAs", 0.3), Lw=5, Lb=2)
+
+# any layer stack, layer by layer (thickness nm, optional doping cm^-3)
+s = Structure()
+s.add("AlGaAs", 40, x=0.3).add("GaAs", 20).add("AlGaAs", 5, x=0.3)
+s.add("GaAs", 10).add("AlGaAs", 40, x=0.3, doping=1e17)
+
+# other materials and substrates
+s = Structure.single_well(well=("InGaAs", 0.53), barrier=("InAlAs", 0.52),
+                          Lw=8, Lb=20, substrate="InP")
+
+# quaternary: Ga_x In_(1-x) As_y P_(1-y)
+s = Structure.single_well(well=("InGaAsP", 0.39, 0.85), barrier="InP",
+                          Lw=8, Lb=20, substrate="InP")
+```
+
+## 2. Materials
+```python
+from hetero1d import material, list_materials, lattice_matched, add_material
+
+list_materials()                                  # all materials and what x, y mean
+m = material("AlGaAs", x=0.3, T=300)              # all parameters as a dict
+print(m["Eg"], m["Ec"], m["Ev"], m["me"], m["g"])
+
+x = lattice_matched("InGaAs", "InP")              # -> 0.534
+x = lattice_matched("InGaAsP", "InP", fixed=("y", 0.85))
+
+add_material("MyMat", Ec=0.70, Ev=-0.75, me=0.07, mhh=0.4, mlh=0.08, eps_s=12.5)
+```
+
+## 3. Energies, wavefunctions and state analysis
+```python
+sol = Solver(s, T=300).solve(n_e=6, n_h=6)
+
+sol.Ee, sol.psi_e          # electron energies (eV) and wavefunctions on grid sol.z (nm)
+sol.Ehh, sol.psi_hh        # heavy holes
+sol.Elh, sol.psi_lh        # light holes
+sol.e_bound                # True for bound states
+E_meV = (sol.Ee - sol.Ec.min()) * 1000            # energies above the well bottom
+
+sol.layer_probabilities(sol.psi_e[:, 0])          # probability in each layer
+zmean, spread = sol.expect_z(sol.psi_e[:, 0])     # <z> and spatial spread (nm)
+```
+
+**Save to CSV** (opens in Excel / Origin):
+```python
+data = np.column_stack([sol.z, sol.Ec, sol.Ev, sol.psi_e, sol.psi_hh])
+header = "z_nm,Ec_eV,Ev_eV," + \
+         ",".join(f"psi_e{i}" for i in range(sol.psi_e.shape[1])) + "," + \
+         ",".join(f"psi_hh{i}" for i in range(sol.psi_hh.shape[1]))
+np.savetxt("wavefunctions.csv", data, delimiter=",", header=header, comments="")
+
+np.savetxt("energies.csv",
+           np.column_stack([np.arange(len(E_meV)), sol.Ee, E_meV, sol.e_bound]),
+           delimiter=",", header="n,E_eV,E_above_well_meV,bound", comments="")
+```
+
+## 4. Intersubband optics (quantum-well infrared photodetectors, cascade lasers)
+```python
+for t in sol.intersubband():      # i, j, dE (eV), lam_um, z (nm), f
+    print(t["i"], "->", t["j"], t["dE"]*1000, "meV", t["lam_um"], "um", "f =", t["f"])
+
+E = np.linspace(0.01, 0.3, 1000)                              # photon energy (eV)
+A = sol.isb_absorption(E, n2d_cm2=5e11, gamma=0.005)          # absorption per pass (fraction)
+```
+
+## 5. Interband optics (lasers, LEDs, photoluminescence)
+```python
+for t in sol.interband()[:5]:     # e, h, band ('hh'/'lh'), E (eV), lam_nm, overlap2
+    print(f"e{t['e']}-{t['band']}{t['h']}: {t['E']:.4f} eV, {t['lam_nm']:.1f} nm")
+
+E = np.linspace(1.4, 1.7, 1000)
+A = sol.interband_absorption(E, gamma=0.005)                  # relative units
+```
+
+## 6. Carrier statistics
+```python
+EF, populations = sol.fermi_level(5e11)    # Fermi level (eV), cm^-2 in each subband
+```
+
+## 7. LO-phonon scattering
+```python
+for t in sol.lo_phonon_rates():            # i, f, dE, rate (1/s), tau_ps
+    print(t["i"], "->", t["f"], f"{t['tau_ps']:.3f} ps")
+```
+
+## 8. Tunnelling and transmission
+```python
+rtd = Structure()                          # double-barrier resonant tunnelling diode
+rtd.add("GaAs", 20).add("AlGaAs", 5, x=0.3).add("GaAs", 6).add("AlGaAs", 5, x=0.3).add("GaAs", 20)
+r = Solver(rtd, dz=0.02)
+E = np.linspace(0.67, 0.70, 20000)
+T = r.transmission(E)                      # T(E) between 0 and 1
+```
+
+## 9. Superlattice minibands
+```python
+sl = Structure.superlattice(10, well="GaAs", barrier=("AlGaAs", 0.3), Lw=5, Lb=2)
+q, d, bands = Solver(sl).minibands(np.linspace(0.62, 1.22, 6000))
+print(bands)                               # list of (E_min, E_max) for each miniband
+```
+
+## 10. Doped structures: Schrödinger-Poisson
+```python
+s = Structure()
+s.add("AlGaAs", 30, x=0.3).add("AlGaAs", 10, x=0.3, doping=3e17).add("AlGaAs", 10, x=0.3)
+s.add("GaAs", 15).add("AlGaAs", 10, x=0.3).add("AlGaAs", 10, x=0.3, doping=3e17).add("AlGaAs", 30, x=0.3)
+sol = Solver(s, T=77).schrodinger_poisson()
+sol.solve()
+sol.VH, sol.n3d, sol.EF                    # Hartree potential, electron density, Fermi level
+```
+
+## 11. Electric field
+```python
+sol = Solver(s, field=50).solve()                       # 50 kV/cm along z
+r = sol.stark_sweep(np.linspace(-80, 80, 33))           # dict: E_e0hh0, ov_e0hh0, E01, z01, ...
+sol.plot_stark("stark.png", np.linspace(-80, 80, 33))   # QCSE, overlap, intersubband vs field
+```
+
+## 12. Magnetic field
+```python
+# B along the growth axis: Landau levels and Zeeman splitting
+sol = Solver(s, T=4.2, Bz=5).solve()
+sol.g_factor(0)                         # electron g-factor of subband 0
+sol.zeeman()                            # spin splitting of each subband (eV)
+sol.landau_levels(N_max=10)             # list of Landau levels
+sol.fermi_level_B(3e11)                 # Fermi level in the field
+sol.plot_magnetic("landau.png", np.linspace(0.5, 10, 200), n2d_cm2=3e11)
+
+# B in the layer plane: diamagnetic shift and dispersion
+sol = Solver(s, T=4.2, Bpar=10).solve()
+E_ky = sol.inplane_dispersion(np.linspace(-0.2, 0.2, 41))
+```
+
+## 13. Other options
+```python
+Solver(s, T=77)             # temperature (K), band gaps follow Varshni law
+Solver(s, dz=0.05)          # finer grid (nm), default 0.1
+```
+
+---
+
+## Validation
+| Test | Reference | hetero1d |
+|---|---|---|
+| 10 nm GaAs/Al0.3Ga0.7As, E1 | 30.842 meV (exact analytic) | 30.850 meV |
+| Double-barrier resonance | 61.95 meV (well level) | T = 1.0000 at 61.91 meV |
+| In0.53Ga0.47As/In0.52Al0.48As ΔEc | ≈ 0.52 eV (literature) | 0.522 eV |
+| Landau spacing, 5 T | ħeB/m* | exact |
+| In-plane diamagnetic shift, 1 T | 2nd-order perturbation theory | 0.0235 meV (identical) |
+
+## Model limits
+Single-band effective mass (no k·p band mixing, no non-parabolicity), Γ valley only
+(X/L valleys not included), no strain, nitrides without polarisation fields,
+Zeeman and Landau levels for electrons only.
+
+## Parameters
+I. Vurgaftman, J. R. Meyer, L. R. Ram-Mohan, J. Appl. Phys. 89, 5815 (2001);
+nitrides: I. Vurgaftman, J. R. Meyer, J. Appl. Phys. 94, 3675 (2003).
+
+## Author
+Ravi Kumar, 2026. MIT License.

hetero1d-0.1.0/pyproject.toml

@@ -0,0 +1,34 @@
+[build-system]
+requires = ["setuptools>=61", "wheel"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "hetero1d"                      # must be unique on PyPI !
+version = "0.1.0"
+description = "1D semiconductor heterostructure solver: quantum wells, superlattices, electric and magnetic fields"
+readme = "README.md"
+requires-python = ">=3.8"
+license = {text = "MIT"}
+authors = [{name = "Ravi Kumar", email = "rkravi365@gmail.com"}]
+keywords = ["semiconductor", "quantum well", "heterostructure", "superlattice",
+            "Schrodinger", "Poisson", "physics"]
+classifiers = [
+    "Programming Language :: Python :: 3",
+    "License :: OSI Approved :: MIT License",
+    "Operating System :: OS Independent",
+    "Topic :: Scientific/Engineering :: Physics",
+    "Intended Audience :: Science/Research",
+]
+dependencies = ["numpy>=1.20", "scipy>=1.7", "matplotlib>=3.3"]
+
+[project.optional-dependencies]
+test = ["pytest"]
+
+[project.urls]
+Homepage = "https://github.com/erw-del/hetero1d"
+
+[project.scripts]
+hetero1d-demo = "hetero1d.examples:main"
+
+[tool.setuptools.packages.find]
+where = ["src"]

hetero1d-0.1.0/setup.cfg

@@ -0,0 +1,4 @@
+[egg_info]
+tag_build = 
+tag_date = 0
+

hetero1d-0.1.0/src/hetero1d/__init__.py

@@ -0,0 +1,21 @@
+"""
+hetero1d - 1D semiconductor heterostructure solver
+(quantum wells, multiple wells, superlattices; electric and magnetic fields)
+
+Quick start
+-----------
+>>> from hetero1d import Structure, Solver
+>>> s = Structure.single_well(well="GaAs", barrier=("AlGaAs", 0.3), Lw=20, Lb=40)
+>>> sol = Solver(s, T=300).solve()
+>>> sol.report()
+"""
+from .core import (
+    Structure, Layer, Solver,
+    material, add_material, list_materials, lattice_matched,
+    BINARIES, TERNARIES, QUATERNARIES,
+)
+
+__version__ = "0.1.0"
+__all__ = ["Structure", "Layer", "Solver", "material", "add_material",
+           "list_materials", "lattice_matched", "BINARIES", "TERNARIES",
+           "QUATERNARIES", "__version__"]