DFT-1/2 and shell DFT-1/2 methods: electronic structure calculation for semiconductors at LDA complexity
It is known that the Kohn–Sham eigenvalues do not characterize experimental excitation
energies directly, and the band gap of a semiconductor is typically underestimated by local …
energies directly, and the band gap of a semiconductor is typically underestimated by local …
Electron beam pumped light emitting devices
Electron beam pumping is a promising technique to fabricate compact and efficient light
emitters (lamps or lasers) in those spectral ranges where electrical injection is problematic …
emitters (lamps or lasers) in those spectral ranges where electrical injection is problematic …
Conversion efficiency of strained wurtzite InxGa1−x N/ZnSnN2 core/shell quantum dot solar cells under external electric field
J Zhang, L Shi, Z Yan - Optoelectronics Letters, 2023 - Springer
In this study, the conversion efficiency (CE), open-circuit voltage (V OC) and short-circuit
current density (J SC) of wurtzite InxGa1− xN/ZnSnN2 core/shell quantum dot (QD) solar …
current density (J SC) of wurtzite InxGa1− xN/ZnSnN2 core/shell quantum dot (QD) solar …
Optical properties of polar and nonpolar GaN/AlN multiquantum well systems—DFT study
A Ahmad, P Strak, K Sakowski, J Piechota… - Journal of Applied …, 2022 - pubs.aip.org
Ab initio simulations were applied for nonpolar GaN/AlN superlattices of various widths for
the first time giving band diagrams and optical transition oscillator strengths. The results …
the first time giving band diagrams and optical transition oscillator strengths. The results …
Polarization spontaneous and piezo: fundamentals and their implementation in ab initio calculations
P Strak, P Kempisty, K Sakowski, J Piechota… - arXiv preprint arXiv …, 2024 - arxiv.org
Fundamental properties of spontaneous and piezo polarization are reformulated and
critically reviewed. It was demonstrated that Landau definition of polarization as a dipole …
critically reviewed. It was demonstrated that Landau definition of polarization as a dipole …
Polarization doping—Ab initio verification of the concept: Charge conservation and nonlocality
A Ahmad, P Strak, P Kempisty, K Sakowski… - Journal of Applied …, 2022 - pubs.aip.org
In this work, we study the emergence of polarization doping in Al x Ga 1− x N layers with
graded composition from a theoretical viewpoint. It is shown that bulk electric charge density …
graded composition from a theoretical viewpoint. It is shown that bulk electric charge density …
Polarization Doping in a GaN-InN System—Ab Initio Simulation
Polarization doping in a GaN-InN system with a graded composition layer was studied using
ab initio simulations. The electric charge volume density in the graded concentration part …
ab initio simulations. The electric charge volume density in the graded concentration part …