vestifmИзвестия Национальной академии наук Беларуси. Серия физико-математических наукProceedings of the National Academy of Sciences of Belarus. Physics and Mathematics Series1561-24302524-2415The Republican Unitary Enterprise Publishing House "Belaruskaya Navuka"vestifm-199Research ArticleФИЗИКАPHYSICSРАСЧЕТ ЭЛЕКТРОННЫХ ЭНЕРГЕТИЧЕСКИХ ЗОН И ОПТИЧЕСКИХ ПАРАМЕТРОВ СУЛЬФИДОВ ОЛОВАCALCULATION OF ELECT RON ENERGY BANDS AND OPTICAL PARAMETERS OF TIN SULFIDESШАПОШНИКОВВ. Л.SHAPOSHNIKOVV. L.victor.shaposhnikov@gmail.comКРИВОШЕЕВАА. В.KRIVOSHEEVAA. V.anna@nano.bsuir.edu.byБОРИСЕНКОВ. Е.BORISENKOV. E.borisenko@bsuir.byБелорусский государственный университет информатики и радиоэлектроникиBelarusian State University of Informatics and Radioelectronics201622112016038995Copyright © ШАПОШНИКОВ В.Л., КРИВОШЕЕВА А.В., БОРИСЕНКО В.Е., 20162016ШАПОШНИКОВ В.Л., КРИВОШЕЕВА А.В., БОРИСЕНКО В.Е.SHAPOSHNIKOV V.L., KRIVOSHEEVA A.V., BORISENKO V.E.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://vestifm.belnauka.by/jour/article/view/199

Теоретическим моделированием установлены зонная структура и оптические свойства различных по стехиометрическому составу и кристаллической решетке фаз сульфида олова. Показано, что все они являются непрямозонными полупроводниками с шириной запрещенной зоны от 0,17 до 2,4 эВ. Перспективным материалом для применения в солнечной энергетике представляется SnS в кубической и орторомбической фазах с шириной запрещенной зоны 1,0–1,5 эВ и коэффициентом поглощения в видимой области спектра более 105 см–1.

The electron energy band structure and optical properties of various phases of tin sulfide were theoretically estimated by computer simulation. All the investigated materials were found to be indirect-gap semiconductors with a band gap ranging from 0.17 to 2.4 eV. The band gap in the range of 1.0–1.5 eV and the absorption coefficient near the fundamental absorption edge of more than 105 cm–1 in the cubic and orthorhombic phases of tin sulfide with a stoichiometric composition of SnS make them promising for solar energy conversion.

сульфид оловазонная структуракоэффициент оптического поглощениясолнечный элементtin sulfideband structureabsorption coefficientsolar cellReferencesLuque, A. Will we exceed 50% efficiency in photovoltaics? / A. Luque // J. Appl. Phys. – 2011. – Vol. 110. – P. 031301.Luque, A. Will we exceed 50% efficiency in photovoltaics? / A. Luque // J. Appl. Phys. – 2011. – Vol. 110. – P. 031301.High-efficient low-cost photovoltaics: recent developments / eds.: V. Petrova-Koch, R. Hezel, A. Goetzberger. – Berlin; Heidelberg: Springer-Verlag, 2008. – Vol. 140.High-efficient low-cost photovoltaics: recent developments / eds.: V. Petrova-Koch, R. Hezel, A. Goetzberger. – Berlin; Heidelberg: Springer-Verlag, 2008. – Vol. 140.Madelung, O. Semiconductors: data handbook / O. Madelung. – Berlin; Heidelberg: Springer, 2004.Madelung, O. Semiconductors: data handbook / O. Madelung. – Berlin; Heidelberg: Springer, 2004.Avellaneda, D. Polymorphic tin sulfide thin films of zinc blende and orthorhombic structures by chemical deposition / D. Avellaneda, M. T. S. Nair, P. K. Nair // J. Electrochem. Soc. – 2008. – Vol. 155. – P. D517–D525.Avellaneda, D. Polymorphic tin sulfide thin films of zinc blende and orthorhombic structures by chemical deposition / D. Avellaneda, M. T. S. Nair, P. K. Nair // J. Electrochem. Soc. – 2008. – Vol. 155. – P. D517–D525.Gao, Ch. Preparation and properties of zinc blende and orthorhombic SnS films by chemical bath deposition / Ch. Gao, H. Shen, L. Sun // Appl. Surf. Sci. – 2011. – Vol. 257. – P. 6750–6755.Gao, Ch. Preparation and properties of zinc blende and orthorhombic SnS films by chemical bath deposition / Ch. Gao, H. Shen, L. Sun // Appl. Surf. Sci. – 2011. – Vol. 257. – P. 6750–6755.Optical properties of thermally evaporated SnS thin films / M. M. El-Nahass [et al.] // Opt. Mater. – 2002. – Vol. 20, N 3. – P. 159–170.7. Morphological and thermal properties of β- SnS2 sprayed thin films using Boubaker polynomials expansion / C. Khèlia [et al.] // J. Alloys Compd. – 2009. – Vol. 477. – P. 461–467.Optical properties of thermally evaporated SnS thin films / M. M. El-Nahass [et al.] // Opt. Mater. – 2002. – Vol. 20, N 3. – P. 159–170.7. Morphological and thermal properties of β- SnS2 sprayed thin films using Boubaker polynomials expansion / C. Khèlia [et al.] // J. Alloys Compd. – 2009. – Vol. 477. – P. 461–467.Growth and characterization of tin disulfide (SnS2) thin film deposited by successive ionic layer adsorption and reaction (SILAR) technique / N. G. Deshpande [et al.] // J. Alloys Compd. – 2007. – Vol. 436. – P. 421–426.Growth and characterization of tin disulfide (SnS2) thin film deposited by successive ionic layer adsorption and reaction (SILAR) technique / N. G. Deshpande [et al.] // J. Alloys Compd. – 2007. – Vol. 436. – P. 421–426.XRD, XPS and 119Sn NMR study of tin sulfides obtained by using chemical vapor transport methods / M. Cruz [et al.] // J. Solid State Chem. – 2003. – Vol. 175. – P. 359–365.XRD, XPS and 119Sn NMR study of tin sulfides obtained by using chemical vapor transport methods / M. Cruz [et al.] // J. Solid State Chem. – 2003. – Vol. 175. – P. 359–365.Electronic structure of SnS deduced from photoelectron spectra and band-structure calculations / A. R. H. F. Ettema [et al.] // Phys. Rev. B. – 1992. – Vol. 46. – P. 7363–7373.Electronic structure of SnS deduced from photoelectron spectra and band-structure calculations / A. R. H. F. Ettema [et al.] // Phys. Rev. B. – 1992. – Vol. 46. – P. 7363–7373.Kresse, G. Efficient interactive schemes for ab initio total-energy calculations using a plane-wave basis set / G. Kresse, J. Furthmüller // Phys. Rev. B. – 1996. – Vol. 54, N 16. – P. 11169–11186.Kresse, G. Efficient interactive schemes for ab initio total-energy calculations using a plane-wave basis set / G. Kresse, J. Furthmüller // Phys. Rev. B. – 1996. – Vol. 54, N 16. – P. 11169–11186.Perdew, J. P. Generalized gradient approximation made simple / J. P. Perdew, K. Burke, M. Ernzerhof // Phys. Rev. Lett. – 1996. – Vol. 77, N 18. – P. 3865–3868.Perdew, J. P. Generalized gradient approximation made simple / J. P. Perdew, K. Burke, M. Ernzerhof // Phys. Rev. Lett. – 1996. – Vol. 77, N 18. – P. 3865–3868.WIEN2k, An augmented plane wave + local orbitals program for calculating crystal properties / P. Blaha [et al.]. – Karlheinz Schwarz, Techn. Universität Wien, Austria, 2001.WIEN2k, An augmented plane wave + local orbitals program for calculating crystal properties / P. Blaha [et al.]. – Karlheinz Schwarz, Techn. Universität Wien, Austria, 2001.Shishkin, M. Implementation and performance of the frequency-dependent GW method within the PAW framework / M. Shishkin, G. Kresse // Phys. Rev. B. – 2006. – Vol. 74, N 3. – P. 035101.Shishkin, M. Implementation and performance of the frequency-dependent GW method within the PAW framework / M. Shishkin, G. Kresse // Phys. Rev. B. – 2006. – Vol. 74, N 3. – P. 035101.Tran, F. Accurate band gaps of semiconductors and insulators with a semilocal exchange- correlation potential / Tran F., P. Blaha // Phys. Rev. Lett. – 2009. – Vol. 102, N 22. – P. 226401.Tran, F. Accurate band gaps of semiconductors and insulators with a semilocal exchange- correlation potential / Tran F., P. Blaha // Phys. Rev. Lett. – 2009. – Vol. 102, N 22. – P. 226401.

The authors declare that there are no conflicts of interest present.