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полный	информационный	краткий

Поисковый запрос: (<.>K=Shockley–Queisser limit<.>)

Общее количество найденных документов : 1

    Oreshonkov, A. S.
    New candidate to reach Shockley–Queisser limit: The DFT study of orthorhombic silicon allotrope Si(oP32) / A. S. Oreshonkov, E. M. Roginskii, V. V. Atuchin // J. Phys. Chem. Solids. - 2020. - Vol. 137. - Ст. 109219, DOI 10.1016/j.jpcs.2019.109219. - Cited References: 44. - The authors are grateful for the support from RFBR , according to the research projects 18-03-00750 and 18-32-20011 . The computations were performed using the facilities of the Computational Center of the Research Park of St. Petersburg State University. This study was also supported by the Russian Science Foundation (project 19-42-02003 , in part of conceptualization). . - ISSN 0022-3697
   Перевод заглавия: Новый кандидат для достижения предела Шокли-Квайссера: ДФТ исследование орторомбического аллотропа кремния Si(oP32)
Кл.слова (ненормированные):
Silicon -- Allotrope -- Shockley–Queisser limit -- DFT -- Phonon
Аннотация: In the present study, the unit cell parameters and atomic coordinates are predicted for the Pbcm orthorhombic structure of Si(oP32) modification. This new allotrope of silicon is mechanically stable and stable with respect to the phonon states. The electronic structure of Si(oP32) is calculated for LDA and HSE06 optimized structures. The band gap value Eg = 1.361 eV predicted for Si(oP32) is extremely close to the Shockley–Queisser limit and it indicates that the Si(oP32) modification is a promising material for efficient solar cells. The frequencies of Raman and Infrared active vibrations is calculated for allotrope Si(oP32).

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Держатели документа:
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Spectroscopy of Solid State, Ioffe Institute, St. Petersburg, 194021, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Functional Electronics Laboratory, Tomsk State University, Tomsk, 634050, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovom, 650000, Russian Federation

Доп.точки доступа:
Roginskii, E. M.; Atuchin, V. V.; Орешонков, Александр Сергеевич
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