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Machine learning for deep elastic strain engineering of semiconductor electronic band structure and effective mass

npj Computational Materials 2021年第1期7卷 694-703页

作者： evgenii tsymbalov Zhe Shi Ming Dao Subra Suresh Ju Li Alexander Shapeev Skolkovo Institute of Science and Technology MoscowRussia Department of Materials Science and Engineering and Department of Nuclear Science and Engineering Massachusetts Institute of TechnologyCambridgeMAUSA Nanyang Technological University SingaporeRepublic of Singapore

The controlled introduction of elastic strains is an appealing strategy for modulating the physical properties of semiconductor *** the recent discovery of large elastic deformation in nanoscale specimens as diverse as silicon and diamond,employing this strategy to improve device performance necessitates first-principles computations of the fundamental electronic band structure and target figures-of-merit,through the design of an optimal straining *** simulations,however,call for approaches that combine deep learning algorithms and physics of deformation with band structure calculations to custom-design electronic and optical *** by this challenge,we present here details of a machine learning framework involving convolutional neural networks to represent the topology and curvature of band structures in *** calculations enable us to identify ways in which the physical properties can be altered through“deep”elastic strain engineering up to a large fraction of the ideal *** capable of active learning and informed by the underlying physics were presented here for predicting the bandgap and the band *** training a surrogate model with ab initio computational data,our method can identify the most efficient strain energy pathway to realize physical property *** power of this method is further demonstrated with results from the prediction of strain states that influence the effective electron *** illustrate the applications of the method with specific results for diamonds,although the general deep learning technique presented here is potentially useful for optimizing the physical properties of a wide variety of semiconductor materials。

关键词： strain deformation electronic

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High-speed performance self-powered short wave ultraviolet radiation detectors based onκ(ε)-Ga_(2)O_(3)

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Journal of Semiconductors 2024年第4期45卷 56-62页

作者： Aleksei Almaev Alexander tsymbalov Bogdan Kushnarev Vladimir Nikolaev Alexei Pechnikov Mikhail Scheglov Andrei Chikiryaka Petr Korusenko Research and Development Center for Advanced Technologies in Microelectronics National Research Tomsk State UniversityTomsk 634050Russia Fokon LLC Kaluga 248035Russia Department of Semiconductor Electronics and Physics of Semiconductors National University of Science and Technology MISISMoscow 119049Russia Perfect Crystals LLC Saint Petersburg 194223Russia Department of Solid-State Electronics Saint Petersburg State UniversitySaint Petersburg 199034Russia Department of Physics Omsk State Technical UniversityOmsk 644050Russia

High-speed solar-blind short wavelength ultraviolet radiation detectors based onκ(ε)-Ga_(2)O_(3)layers with Pt contacts were demonstrated and their properties were studied in ***κ(ε)-Ga_(2)O_(3)layers were deposited by the halide vapor phase epitaxy on patterned GaN templates with sapphire *** spectral dependencies of the photoelectric properties of struc-tures were analyzed in the wavelength interval 200-370 *** maximum photo to dark current ratio,responsivity,detectiv-ity and external quantum efficiency of structures were determined as:180.86 ***.,3.57 A/W,1.78×10^(12) Hz^(0.5)∙cm·W^(-1) and 2193.6%,respectively,at a wavelength of 200 nm and an applied voltage of 1 *** enhancement of the photoresponse was caused by the decrease in the Schottky barrier at the Pt/κ(ε)-Ga_(2)O_(3)interface under ultraviolet *** detectors demon-strated could functionalize in self-powered mode due to built-in electric field at the Pt/κ(ε)-Ga_(2)O_(3)*** responsivity and external quantum efficiency of the structures at a wavelength of 254 nm and zero applied voltage were 0.9 mA/W and 0.46%,*** rise and decay times in self-powered mode did not exceed 100 ms.

关键词： κ(ε)-gallium oxide solar-blind shortwave ultraviolet radiation detectors self-powered operation mode

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Self-powered UVC detectors based on α-Ga_(2)O_(3) with enchanted speed performance

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Journal of Semiconductors 2024年第8期45卷 74-80页

作者： Aleksei Almaev Alexander tsymbalov Bogdan Kushnarev Vladimir Nikolaev Alexei Pechnikov Mikhail Scheglov Andrei Chikiryaka Laboratory of Metal Oxide Semiconductors Research and Development Center for Advanced Technologies in MicroelectronicsNational Research Tomsk State UniversityTomsk 634050Russia Fokon LLC Kaluga 248035Russia Department of Semiconductor Electronics and Physics of Semiconductors National University of Science and Technology MISISMoscow 119049Russia Perfect Crystals LLC Saint Petersburg 194223Russia

Detectors were developed for detecting irradiation in the short-wavelength ultraviolet(UVC)interval using high-quality single-crystallineα-Ga_(2)O_(3) films with Pt interdigital *** films ofα-Ga_(2)O_(3) were grown on planar sapphire substrates with c-plane orientation using halide vapor phase *** spectral dependencies of the photo to dark current ratio,responsivity,external quantum efficiency and detectivity of the structures were investigated in the wavelength interval of 200−370 *** maximum of photo to dark current ratio,responsivity,external quantum efficiency,and detectivity of the structures were 1.16×10^(4) ***.,30.6 A/W,1.65×10^(4)%,and 6.95×10^(15) Hz^(0.5)·cm/W at a wavelength of 230 nm and an applied voltage of 1 *** high values of photoelectric properties were due to the internal enhancement of the photoresponse associated with strong hole ***α-Ga_(2)O_(3) film-based UVC detectors can function in self-powered operation mode due to the built-in electric field at the Pt/α-Ga_(2)O_(3) *** a wavelength of 254 nm and zero applied voltage,the structures exhibit a responsivity of 0.13 mA/W and an external quantum efficiency of 6.2×10^(−2)%.The UVC detectors based on theα-Ga_(2)O_(3) films demonstrate high-speed performance with a rise time of 18 ms in self-powered mode.

关键词： HVPE gallium oxide solar-blind ultraviolet detector self-powered mode

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COMPACT DIFFERENCE SCHEMES FOR THE DIFFUSION AND SCHRODINGER EQUATIONS. APPROXIMATION, STABILITY, CONVERGENCE, EFFECTIVENESS, MONOTONY

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Journal of Computational Mathematics 2014年第3期32卷 348-370页

作者： Vladimir A. Gordin Eugeny A. tsymbalov National Research University Higher School of Economics Hydrometeorological Center of Russia Moscow 123242 Russia

Various compact difference schemes （both old and new, explicit and implicit, one-level and two-level）, which approximate the diffusion equation and SchrSdinger equation with periodical boundary conditions are constructed by means of the general approach. The results of numerical experiments for various initial data and right hand side are presented. We evaluate the real order of their convergence, as well as their stability, effectiveness, and various kinds of monotony. The optimal Courant number depends on the number of grid knots and on the smoothness of solutions. The competition of various schemes should be organized for the fixed number of arithmetic operations, which are necessary for numerical integration of a given Cauchy problem. This approach to the construction of compact schemes can be developed for numerical solution of various problems of mathematical physics.

关键词： Compact schemes Pairs of test functions Courant number Two-level scheme,Order of convergence Effectiveness Monotony.

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