Direct coupling of Geant4 and SCAPS-1D for GaAs/AlGaAs betavoltaic device simulation: a comparative study with photovoltaic operation


Ayarcı Kuruoglu N., Yetkin T., Bozkurt K., Özdemir O., Kulakci M.

SEMICONDUCTOR SCIENCE AND TECHNOLOGY, cilt.41, sa.10, ss.1-24, 2026 (Scopus)

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 41 Sayı: 10
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1088/1361-6641/aeaf78
  • Dergi Adı: SEMICONDUCTOR SCIENCE AND TECHNOLOGY
  • Derginin Tarandığı İndeksler: Applied Science & Technology Source, Academic Search Ultimate (EBSCO), Engineering Source (EBSCO), Scopus, Chemical Abstracts Core, Chimica, Compendex, INSPEC
  • Sayfa Sayıları: ss.1-24
  • Yıldız Teknik Üniversitesi Adresli: Evet

Özet

Abstract A direct coupling methodology between Geant4 and SCAPS-1D is introduced for the accurate simulation of betavoltaic devices, and validated against experimental photovoltaic measurements on GaAs/AlGaAs heterostructures. Unlike conventional approaches that rely on empirical fitting functions for the carrier generation profile, the present work computes the depth-dependent energy deposition of a 63 Ni beta source directly using Geant4 with the Penelope low-energy physics constructor, converts the result to a volumetric electron–hole pair generation rate via the Klein relation, and imports it into SCAPS-1D as a user-defined profile. Six-layer and five-layer GaAs/AlGaAs n–p and p–n configurations are characterized under both AM1.5 G illumination and 63 Ni irradiation. Simulated photovoltaic parameters show good agreement with experiment for both junction polarities. Under betavoltaic operation, the n–p structures maintain a consistent relative efficiency advantage of approximately 9% over the p–n structures when bulk SRH defects are present, whereas for defect-free material the polarity difference lies within the parameter-set uncertainty. Removal of the heavily doped front GaAs cap layer improves betavoltaic efficiency by 54%–62% by eliminating parasitic absorption in the surface-peaked beta deposition region. Bulk SRH defects reduce efficiency by approximately 47–53%. Shunt resistance ( R sh ) is identified as a critical design parameter: at nA cm −2 current densities, R sh ≫ 20 MΩ·cm 2 is required to avoid severe fill factor degradation. Among the investigated structures, the defect-free n–p five-layer configuration achieved the highest simulated efficiency of 2.84% under 13.87 mCi cm −2 63 Ni irradiation. A controlled sensitivity study using conventional bulk-GaAs effective densities of states ( N c = 4.21–4.70 × 10 17 cm −3 ) confirms that the cap-removal and defect conclusions are insensitive to this parameter choice, changing the maximum efficiency only marginally (from 2.84% to 2.82%), while lowering the open-circuit voltage of the defect-containing devices by 37–40 mV. The methodology provides a physically consistent framework for heterostructure betavoltaic device design and optimization.