resarПриродные ресурсы Арктики и СубарктикиArctic and Subarctic Natural Resources2618-97122686-9683Академия наук Республики Саха (Якутия)10.31242/2618-9712-2022-27-3-459-465resar-97Research ArticleМатериаловедениеMaterials scienceЭлектронные свойства вертикально уложенной гетероструктуры MoS2/WS2Electronic properties of vertically stacked MoS2/WS2 heterostructurehttps://orcid.org/0000-0001-8001-9964ГригорьевЮ. М.Grigor’evYu. M.

ГРИГОРЬЕВ Юрий Михайлович, доктор физико-математических наук, зам. ректора, зав. кафедрой «Теоретическая физика», в.н.с., Author ID:14623701400, Researcher ID: K-8270-2016

677891, Якутск, ул. Белинского, 58;

677007, Якутск, пр. Ленина, 33

GRIGOR’EV, Yuri Mikhailovich, Dr. Sci. (Physics and Mathematics), Deputy Rector, Head of the Theoretical Physics Department, Leading Researcher, Author ID: 14623701400, Researcher ID: K-8270-2016

58 Belinskogo st., Yakutsk 677891;

41 Lenina pr., Yakutsk 677007

grigyum@yandex.ruhttps://orcid.org/0000-0002-6346-3497ШаринЕ. П.SharinE. P.

ШАРИН Егор Петрович, кандидат физико-математических наук, доцент, Author ID: 56291744200, Researcher ID: H-1093-2013

677891, Якутск, ул. Белинского, 58

SHARIN, Egor Petrovich, Cand. Sci. (Physics and Mathematics), Associate Professor, Author ID: 56291744200, Researcher ID: H-1093-2013

58 Belinskogo st., Yakutsk 677891

ep.sharin@s-vfu.ruМуксуновН. Я.MuksunovN. Ya.

МУКСУНОВ Никита Янович, студент, Физико-технический институт

677891, Якутск, ул. Белинского, 58

MUKSUNOV, Nikita Yanovich, student, Institute of Physics and Technology

58 Belinskogo st., Yakutsk 677891

muksunov97@mail.ruСеверо-Восточный федеральный университет им. М.К. Аммосова; Академия наук Республики Саха (Якутия)РоссияM.K. Ammosov North-Eastern Federal University; Academy of Sciences of the Republic of Sakha (Yakutia)Russian FederationСеверо-Восточный федеральный университет им. М.К. АммосоваРоссияM.K. Ammosov North-Eastern Federal UniversityRussian Federation202209092023273459465Copyright © Григорьев Ю.М., Шарин Е.П., Муксунов Н.Я., 20232023Григорьев Ю.М., Шарин Е.П., Муксунов Н.Я.Grigor’ev Y.M., Sharin E.P., Muksunov N.Y.This work is licensed under a Creative Commons Attribution 4.0 License.https://resar.elpub.ru/jour/article/view/97

Монослойные дихалькогениды переходных металлов (ДПМ) в качестве новых двумерных полупроводниковых материалов открывают новые возможности для оптоэлектроники благодаря превосходным возможностям захвата света и фотодетекции. Фотоприемники на основе ДПМ стали важными компонентами систем зондирования, визуализации и связи, способны воспринимать и преобразовывать оптические сигналы в электрические. Актуальной и нерешенной проблемой является поиск способов разработки высококачественных однослойных и гетерослойных электронных устройств на основе дихалькогенидов переходных металлов с длительным сроком службы, таких как оптоэлектронные устройства и полевые транзисторы. Одним из необходимых этапов таких поисков является управление шириной запрещенной зоны в гетероструктурах. В данной работе мы исследуем ширину запрещенной зоны в гетероструктуре MoS2/WS2 в зависимости от расстояния между слоями MoS2 и WS2. Расчеты из первых принципов показали, что, в отличие от однородных бислоев, гетеропереход MoS2/WS2 имеет оптически активную запрещенную зону, меньшую, чем у однослойных MoS2 и WS2. С увеличением межслойного расстояния в гетероструктурах MoS2/WS2 взаимодействие между слоями ослабляется. Это приводит к сдвигу уровня Ферми в состояние с более высокой энергией.

Monolayer transition metal dichalcogenides (TMD) as new two-dimensional semiconductor materials open new possibilities for optoelectronics due to their excellent light capture and photodetection capabilities. TDM-based photodetectors have become important components of sensing, visualization and communication systems, capable of receiving and converting optical signals into electrical ones. An urgent and unsolved task is the development of high-quality single-layer and heterolayer electronic devices based on transition metal dichalcogenides with a long service life, such as optoelectronic devices and field-effect transistors. The control of the band gap in heterostructures is one of the necessary steps in this development. We studied the band gap in the MoS2/WS2 heterostructure depending on the distance between the MoS2 and WS2 layers. Ab initio calculations showed that, in contrast to homogeneous bilayers, the MoS2/ WS2 heterojunction has an optically active band gap smaller than that of single-layer MoS2 and WS2. With an increase in the interlayer distance in the MoS2/WS2 heterostructures, the interaction between the layers weakens. Thus, it results in a shift of the Fermi level to a state of higher energy.

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