$Device { Region qdot { # mesh_regions = 1 material = GaN x = 0.0 structure = wz y-growth-direction = (-1,0,1,0) x-growth-direction = (-1,2,-1,0) z-growth-direction = (0,0,0,1) doping = 1e15 doping_type = acceptor doping_level = 0.025 } Region barrier #buffer { # mesh_regions = 2 material = AlGaN x = 0.3 structure = wz y-growth-direction = (-1,0,1,0) x-growth-direction = (-1,2,-1,0) z-growth-direction = (0,0,0,1) doping = 1e15 doping_type = acceptor doping_level = 0.025 } Region buffer1 { # mesh_regions = 3 material = AlGaN x = 0.3 structure = wz y-growth-direction = (-1,0,1,0) x-growth-direction = (-1,2,-1,0) z-growth-direction = (0,0,0,1) doping = 1e15 doping_type = acceptor doping_level = 0.025 } Region buffer2 { # mesh_regions = 4 material = AlGaN x = 0.3 structure = wz y-growth-direction = (-1,0,1,0) x-growth-direction = (-1,2,-1,0) z-growth-direction = (0,0,0,1) doping = 1e15 doping_type = acceptor doping_level = 0.025 } Cluster Quantum_dot { mesh_regions = (qdot ,barrier ) # (1,2) } } $Models { model macrostrain { options { simulation_name = str physical_regions = all } BC_Regions { BC_Region substrate { # BC_reg_numb = 1 type = substrate material = AlGaN x = 0.3 structure = wz y-growth-direction = (-1,0,1,0) x-growth-direction = (-1,2,-1,0) z-growth-direction = (0,0,0,1) } } } model driftdiffusion { options { simulation_name = dd physical_regions = all } physical_model recombination { model = srh } physical_model recombination { model = direct C = 1.1e-8 } physical_model electron_mobility { model = doping_dependent } physical_model hole_mobility { model = doping_dependent } BC_Regions { BC_Region surface_states1 { # BC_reg_numb = 2 type = interface Ns = -1e10 } BC_Region surface_states2 { # BC_reg_numb = 3 type = interface Ns = -1e10 } } } model efaschroedinger { options { simulation_name = quantum_el physical_regions = Quantum_dot #(1,2) } } model efaschroedinger { options { simulation_name = quantum_hl physical_regions = Quantum_dot # (1,2) } } } $Solver { macrostrain { substrate = substrate lin_rel_tol = 1e-6 xmonitor = true # tolerance = 1e-6 } driftdiffusion { coupling = poisson #nonlinear_solver = tiber #linear_solver = pardiso nonlin_max_it = 15 nonlin_rel_tol = 1e-12 nonlin_step_tol = 1e-5 ls_max_step = 4 } quantum_el { Dirichlet_bc_everywhere = true particle = el number_of_eigenstates = 5 poisson_model_name = dd strain_model_name = macrostrain convergent_density = true log_output = true solver = krylovshur monitor = true ksp_type = bcgsl pc_type = jacobi } quantum_hl { x-periodicity = false Dirichlet_bc_everywhere = true particle = hl number_of_eigenstates = 8 poisson_model_name = dd strain_model_name = macrostrain convergent_density = true solver = krylovshur log_output = true monitor = true ksp_type = bcgsl pc_type = jacobi } } $Physics { quantum_el { model = conduction_band particle = el } quantum_hl { particle = hl model = kp # k.p for valence band kp_model = 6x6 } driftdiffusion { strain_simulation = str statistics = FD } } $Simulation { #searchpath = ../../materials meshfile = quantum_dot.msh # mesh_units = 1e-9 dimension = 3 temperature = 300 solve = (str, dd, quantum_el, quantum_hl ) resultpath = output # output_format = ise plot = (strain, polarization, Ec, Ev, QFermi_e, QFermi_h, EField , ElPotential, EigenFunctions, EigenEnergy, EnergyLevels) }