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In ultra-thin two-dimensional (2-D) materials, the formation of ohmic contacts with top metallic layers is a challenging task that involves different processes than in bulk-like structures. Besides the Schottky barrier height, the transfer…

Mesoscale and Nanoscale Physics · Physics 2019-12-11 Aron Szabo , Achint Jain , Markus Parzefall , Lukas Novotny , Mathieu Luisier

We explore the adsorption of MoS2 on a range of metal substrates by means of first-principles density functional theory calculations. Including van der Waals forces in the density functional is essential to capture the interaction between…

Materials Science · Physics 2016-02-03 M. Farmanbar , G. Brocks

Energy band realignment at the interfaces between materials in heterostructures can give rise to unique electronic characteristics and non-trivial low-dimensional charge states. In a homojunction of monolayer and multilayer MoS$_2$, the…

Materials Science · Physics 2017-07-21 Ying Jia , Teodor K. Stanev , Erik J. Lenferink , Nathaniel P. Stern

Understanding the interfacial electrical properties between metallic electrodes and low dimensional semiconductors is essential for both fundamental science and practical applications. Here we report the observation of thickness reduction…

Mesoscale and Nanoscale Physics · Physics 2015-02-17 Song-Lin Li , K. Komatsu , Shu Nakaharai , Yen-Fu Lin , M. Yamamoto , X. F. Duan , K. Tsukagoshi

The ability to perform efficient electrical spin injection from ferromagnetic metals into two-dimensional semiconductor crystals based on transition metal dichalcogenide monolayers is a prerequisite for spintronic and valleytronic devices…

Materials Science · Physics 2018-03-29 Thomas Garandel , Rémi Arras , Xavier Marie , Pierre Renucci , Lionel Calmels

The Schottky barrier of a metal-semiconductor junction is one of the key quantities affecting the charge transport in a transistor. The Schottky barrier height depends on several factors, such as work function difference, local atomic…

Mesoscale and Nanoscale Physics · Physics 2020-12-09 Line Jelver , Daniele Stradi , Kurt Stokbro , Karsten Wedel Jacobsen

The coexistence of semiconducting (2H) and metallic (1T) phases of MoS$_{2}$ monolayers have further pushed their strong potential for applications in the next generation of electronic devices based on the two-dimensional lateral…

Computational Physics · Physics 2021-12-01 Mohammad Bahmani , Mahdi Ghorbani-Asl , Thomas Frauenheim

Nanoscale metallic inclusions (NMIs) are commonly observed within oxide scales formed during high-temperature oxidation, revealing the existence of chemical and electronic heterogeneity beyond conventional corrosion theories that assume…

Band alignment of metal contacts to 2D semiconductors often deviate from the ideal Shottky-Mott (SM) rule due to the non-ideal factors such as the formation of interface dipole and metal-induced gap states (MIGS). Although MIGS can be…

Materials Science · Physics 2024-11-06 Che Chen Tho , Yee Sin Ang

MoS2 is a layered two-dimensional material with strong spin-orbit coupling and long spin lifetime, which is promising for electronic and spintronic applications. However, because of its large band gap and small electron affinity, a…

Materials Science · Physics 2015-08-18 Weiyi Wang , Yanwen Liu , Lei Tang , Yibo Jin , Tongtong Zhao , Faxian Xiu

Although MoS2 field-effect transistors (FETs) with high-k dielectrics are promising for electron device applications, the underlying physical origin of interface degradation remains largely unexplored. Here, we present a systematic analysis…

Materials Science · Physics 2018-02-01 Nan Fang , Kosuke Nagashio

Integration of semiconducting transition metal dichalcogenides (TMDs) into functional optoelectronic circuitries requires an understanding of the charge transfer across the interface between the TMD and the contacting material. Here, we use…

We use density functional theory plus dynamical mean-field theory to demonstrate the emergence of a metallic layer at the interface between the two Mott insulators LaTiO$_3$ and LaVO$_3$. The metallic layer is due to charge transfer across…

Strongly Correlated Electrons · Physics 2019-09-11 Sophie Beck , Claude Ederer

We have studied the finite bias transport properties of a 2H-1T' MoS$_2$ lateral metal-semiconductor (M-S) junction by non-equilibrium Green's functions calculations, aimed at contacting the 2D channel in a field effect transistor. Our…

Mesoscale and Nanoscale Physics · Physics 2020-05-26 M. Laura Urquiza , Xavier Cartoixà

We investigate the nature of electron transport through monolayer molybdenum dichalcogenides (MoX$_2$, X=S, Se) suspended between Au and Ti metallic contacts. The monolayer is placed ontop of the close-packed surfaces of the metal…

Mesoscale and Nanoscale Physics · Physics 2013-11-12 Zhaoqiang Bai , Troels Markussen , Kristian S. Thygesen

The application of two-dimensional (2D) semiconductors, such as monolayer MoS2, is limited by the high contact resistance commonly attributed to interfacial barriers at metal contacts. Furthermore, the dependence of electrical conductivity…

A low Schottky barrier height (SBH) at source/drain contact is essential for achieving high drive current in atomic layer MoS2 channel based field-effect transistors. Approaches such as choosing metals with appropriate work functions and…

Mesoscale and Nanoscale Physics · Physics 2016-01-20 Anuja Chanana , Santanu Mahapatra

Two-dimensional material (2DM)-based field-effect transistors (FETs), such as molybdenum disulfide (MoS${_2}$)-FETs, have gained significant attention for their potential for ultra-short channels, thereby extending Moore's law. However,…

With the advances in low dimensional transition metal dichalcolgenides (TMDCs) based metal oxide semiconductor field effect transistor (MOSFET), the interface between semiconductors and dielectrics has received considerable attention due to…

Computational Physics · Physics 2017-01-02 Sheng Yu , Shunjie Ran , Hao Zhu , Kwesi Eshun , Chen Shi , Kai Jiang , Qiliang Li

The semiconductor-metal junction is one of the most critical factors for high performance electronic devices. In two-dimensional (2D) semiconductor devices, minimizing the voltage drop at this junction is particularly challenging and…

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