Modeling the Breakdown of the p-n Junction Based on GaAs Using Molecular Dynamics Method
Моделювання пробою p-n переходу на основі GaAs з використанням методу молекулярної динаміки
Sergeyev D. Zhanturina N. Solovjov A.L.
2025Sumy State University
Journal of Nano- and Electronic Physics
2025#17Issue 4
This paper presents the results of a modeling study of the breakdown of the GaAs-based electron-hole junction using density functional theory and molecular dynamics method. Electrical characteristics were simulated using Slater-Koster and non-equilibrium Green’s function methods. It is shown that the presence of initial vacancy defects and Frenkel pairs in the volume of the semiconductor crystal contributes to the relaxation of mechanical stresses created by thermal deformation. It is determined that the electromagnetic component of the pulse leads to the appearance of bends in the semiconductor structure, accompanied by significant deviations of the parameters of the crystal lattice from the norm. When considering the simultaneous action of thermal and electromagnetic components of the pulse, these bends are smoothed out, presumably due to the relaxation of mechanical stresses through initial and thermal vacancy defects. It is revealed that vulnerable areas of the semiconductor device are the junction points of the crystalline structure with the contacts, as well as the boundary between pand n-semiconductors. Analysis of electrical characteristics shows that even before the breakdown, the semiconductor diode loses its rectifying properties, and the pre-breakdown state of the diode is accompanied by a significant impulsive in-crease in reverse current, further leading to overheating and thermal breakdown.
Computer modeling , Electromagnetic pulse , Molecular dynamics , p-n junction , Thermal effect
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T. Begeldinov Aktobe Avation Institute, Aktobe, 030012, Kazakhstan
K. Zhubanov Aktobe Regional University, Aktobe, 030000, Kazakhstan
B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine, Kharkiv, 61103, Ukraine
T. Begeldinov Aktobe Avation Institute
K. Zhubanov Aktobe Regional University
B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine
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