{"id":48361,"date":"2023-04-18T00:00:49","date_gmt":"2023-04-17T16:00:49","guid":{"rendered":"https:\/\/www.science.nus.edu.sg\/?p=48361"},"modified":"2023-04-18T10:16:04","modified_gmt":"2023-04-18T02:16:04","slug":"towards-controlling-contact-polarity-and-contact-resistance-in-2d-material-devices","status":"publish","type":"post","link":"https:\/\/www.science.nus.edu.sg\/blog\/2023\/04\/towards-controlling-contact-polarity-and-contact-resistance-in-2d-material-devices\/","title":{"rendered":"Towards controlling contact polarity and contact resistance in 2D-material devices"},"content":{"rendered":"<p><span style=\"font-size: 16px; font-family: arial, helvetica, sans-serif;\">National University of Singapore (NUS) physicists found that contacts made of molybdenum disulphide (MoS<sub>2<\/sub>) and tungsten diselenide (WSe<sub>2<\/sub>) on gold metal are both p-type, while the same contacts with chalcogen vacancy defects become n-type. Non-local exchange and correlation effects are critical in determining the energy level alignment and the contact polarity. Their results show that the different contact polarities observed experimentally for MoS<sub>2<\/sub>\/gold and WSe<sub>2<\/sub>\/gold interfaces stem from the distinct nature of the defects in these two materials.<\/span><\/p>\n<p><span style=\"font-size: 16px; font-family: arial, helvetica, sans-serif;\">Nobel laureate Herbert KROEMER had famously observed that \u201cthe interface is the device\u201d. When two-dimensional (2D) semiconductor materials are put in contact with metals, they form metal-semiconductor interfaces. These interfaces influence parameters such as contact resistance and play a critical role in the performance of the device. Even the nature of the charge carriers is largely determined by these interfaces. If electrons need a lower energy to cross the energy barrier at the interface, the polarity is \u201cn-type\u201d; if holes need a lower energy to cross the energy barrier at the interface, the polarity becomes \u201cp-type\u201d. Contact polarity is important for the design of device functionalities, such as p-n junctions.<\/span><\/p>\n<p><span style=\"font-size: 16px; font-family: arial, helvetica, sans-serif;\">A team of researchers led by Associate Professor QUEK Su Ying from the Department of Physics, NUS, used state-of-the-art calculations to study two common 2D semiconductor materials known as the transition metal dichalcogenides, MoS<sub>2<\/sub> and WSe<sub>2<\/sub>, in contact with gold metal.<\/span><\/p>\n<p><span style=\"font-size: 16px; font-family: arial, helvetica, sans-serif;\">Prof Quek said, \u201cOur calculations showed that both MoS<sub>2<\/sub>\/gold and WSe<sub>2<\/sub>\/gold contacts are p-type when there are no defects. These results were different from previous theoretical predictions. The crucial difference is that many-body exchange and correlation effects beyond a mean-field description are important to accurately predict the level alignment. When there is a chalcogen vacancy defect, the contacts become n-type in both cases. This is due to the additional energy levels in the band gap, which cause the energy levels of the metal to be \u201cpinned\u201d.\u201d<\/span><\/p>\n<p><span style=\"font-size: 16px; font-family: arial, helvetica, sans-serif;\">Dr Keian NOORI, the lead author on this work, said, \u201cUnlike MoS<sub>2<\/sub>, the chalcogen vacancy defects in WSe<sub>2<\/sub> are more reactive. Under ambient conditions, oxygen available in the environment can react with these vacancies and remove the states in the band gap, so that the WSe<sub>2<\/sub> material behaves like a pristine material with no defects, which is p-type, as far as contact polarity is concerned.\u201d<\/span><\/p>\n<p><span style=\"font-size: 16px; font-family: arial, helvetica, sans-serif;\">Prof Quek added, \u201cAlthough the chalcogen vacancy defects in MoS<sub>2<\/sub> are less reactive, it is conceivable that experimental conditions can be arranged to allow the defects to be similarly \u201cpassivated\u201d by oxygen or other species. This will then provide a route to enable more tunable control of the energy offset at the MoS<sub>2<\/sub>\/metal contacts. As defects are often inevitable, knowing how to control their impact on key device properties will greatly help to optimise device performance.\u201d<\/span><\/p>\n<p><span style=\"font-size: 16px; font-family: arial, helvetica, sans-serif;\"><img fetchpriority=\"high\" decoding=\"async\" width=\"680\" height=\"437\" src=\"https:\/\/www.science.nus.edu.sg\/wp-content\/uploads\/2023\/04\/331._Quek_SY_PHY_20221107_2.jpg\" alt=\"\" class=\"alignnone size-full wp-image-48368\" srcset=\"https:\/\/www.science.nus.edu.sg\/wp-content\/uploads\/2023\/04\/331._Quek_SY_PHY_20221107_2.jpg 680w, https:\/\/www.science.nus.edu.sg\/wp-content\/uploads\/2023\/04\/331._Quek_SY_PHY_20221107_2-300x193.jpg 300w\" sizes=\"(max-width: 680px) 100vw, 680px\" \/><\/span><\/p>\n<p><span style=\"font-size: 16px; font-family: arial, helvetica, sans-serif;\">Figure A shows the atomic structure of molybdenum disulphide (MoS<sub>2<\/sub>) on gold metal. The sulphur (S) vacancies are typically not passivated by oxygen available in the environment and this results in a n-type interface. Figure B shows the atomic structure of tungsten diselenide (WSe<sub>2<\/sub>) on gold metal. The more reactive selenium (Se) vacancies are passivated by oxygen atoms (shown by the red dot). This turns it into a p-type interface.<\/span><\/p>\n<p>&nbsp;<\/p>\n<p><span style=\"font-size: 16px; font-family: arial, helvetica, sans-serif;\"><b>Reference<\/b><\/span><\/p>\n<p><span style=\"font-size: 16px; font-family: arial, helvetica, sans-serif;\">Noori K; Xuan F; Quek SY*, &#8220;Origin of contact polarity at metal-2D transition metal dichalcogenide interfaces&#8221; npj 2D MATERIALS AND APPLICATIONS Volume: 6 Article number: 73 DOI: <a href=\"https:\/\/www.nature.com\/articles\/s41699-022-00349-x\">10.1038\/s41699-022-00349-x<\/a> Published: 2022.<\/span><\/p>\n","protected":false},"excerpt":{"rendered":"<p>National University of Singapore (NUS) physicists found that contacts made of molybdenum disulphide (MoS2) and tungsten diselenide (WSe2) on gold&#8230;<\/p>\n","protected":false},"author":16,"featured_media":48367,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[23,13],"tags":[],"class_list":["post-48361","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-advanced-materials","category-research-news"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO Premium plugin v23.6 (Yoast SEO v23.6) - 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