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The intercalation-induced phase transition of MoS2 from the semiconducting 2H to the semimetallic 1T' phase has been studied in detail for nearly a decade; however, the effects of a heterointerface between MoS2 and other two-dimensional…

Tunneling field-effect transistors (TFETs) based on 2D materials are promising steep sub-threshold swing (SS) devices due to their tight gate control. There are two major methods to create the tunnel junction in these 2D TFETs: electrical…

Mesoscale and Nanoscale Physics · Physics 2016-08-30 Hesameddin Ilatikhameneh , Gerhard Klimeck , Joerg Appenzeller , Rajib Rahman

We report a bipolar field effect tunneling transistor that exploits to advantage the low density of states in graphene and its one atomic layer thickness. Our proof-of-concept devices are graphene heterostructures with atomically thin boron…

Atomically thin layered two-dimensional materials, including transition-metal dichacolgenide (TMDC) and black phosphorus (BP), (1) have been receiving much attention, because of their promising physical properties and potential applications…

Materials Science · Physics 2016-02-17 Qi Feng , Faguang Yan , Wengang Luo , Kaiyou Wang?

Tailoring the specific stacking sequences (polytypes) of layered materials represents a powerful strategy to identify and design novel physical properties. While nanostructures built upon transition-metal dichalcogenides (TMDs) with either…

We investigate the possibility of band structure engineering in the recently predicted 2D layered form of blue phosphorus via an electric field (E$_z$) applied perpendicular to the layer(s). Using density functional theory, we study the…

Mesoscale and Nanoscale Physics · Physics 2015-03-26 Barun Ghosh , Suhas Nahas , Somnath Bhowmick , Amit Agarwal

Metal-organic frameworks (MOFs) are an important class of materials that present intriguing opportunities in the fields of sensing, gas storage, catalysis, and optoelectronics. Very recently, two-dimensional (2D) MOFs have been proposed as…

Materials Science · Physics 2018-10-15 Avijit Kumar , Kaustuv Banerjee , Adam S. Foster , Peter Liljeroth

The performance of ultra-wide band gap materials like $\beta$-Ga$_\mathrm{2}$O$_\mathrm{3}$ is critically dependent on achieving high average electric fields within the active region of the device. In this report, we show that high-k gate…

(2D) lateral heterostructures (LH) combining Ti$_2$C and Ta$_2$C MXenes were investigated by means of first-principles calculations. Our structural and elastic properties calculations show that the lateral Ti$_2$C/Ta$_2$C heterostructure…

Materials Science · Physics 2023-06-08 S. Özcan , B. Biel

Understanding the phase transition mechanisms in two-dimensional (2D) materials is a key to precisely tailor their properties at the nanoscale. Molybdenum ditelluride (MoTe2) exhibits multiple phases at room temperature, making it a…

The shortcomings of mono-component systems, e.g., the gapless nature of graphene, the lack of air-stability in phosphorene, etc. have drawn great attention toward stacked materials expected to show interesting electronic and optical…

Mesoscale and Nanoscale Physics · Physics 2020-12-24 Maryam Mahdavifar , Sima Shekarforoush , Farhad Khoeini

Artificially constructed van der Waals heterostructures (vdWHs) provide an ideal platform for realizing emerging quantum phenomena in condensed matter physics. Two methods for building vdWHs have been developed: stacking two-dimensional…

Materials Science · Physics 2020-12-30 Wei Yao , Martin Aeschlimann , Shuyun Zhou

Monolayers of transition metal dichalcogenides are semiconducting materials which offer many prospects in optoelectronics. A monolayer of molybdenum disulfide (MoS2) has a direct bandgap of 1.88 eV. Hence, when excited with optical photon…

The continued evolution of CMOS technology demands materials and architectures that emphasize low power consumption, particularly for computations involving large scale data processing and multivariable optimization. Ferroelectric materials…

Two-dimensional (2D) layered semiconductors with both ultrawide bandgap and strong second harmonic generation (SHG) are essential for expanding the nonlinear optical (NLO) applications to deep-ultraviolet (DUV) region in nanoscale.…

Mesoscale and Nanoscale Physics · Physics 2020-11-24 Lei Kang , Xiaomeng Liu , Zheshuai Lin , Bing Huang

We develop an analytical model to describe sub-bandgap optical absorption in two-dimensional semiconducting transition metal dichalcogenide (s-TMD) nanoflakes. The material system represents an array of few-layer molybdenum disulfide…

Mesoscale and Nanoscale Physics · Physics 2016-10-11 Maxim Trushin , Edmund J. R. Kelleher , Tawfique Hasan

Two dimensional materials such as Transition Metal Dichalcogenides (TMDC) and their bi-layer/tri-layer heterostructures have become the focus of intense research and investigation in recent years due to their promising applications in…

Computational Physics · Physics 2018-02-27 Kanak Datta , Abir Shadman , Ehsanur Rahman , Quazi D. M. Khosru

The energy bandgap is an intrinsic character of semiconductors, which largely determines their properties. The ability to continuously and reversibly tune the bandgap of a single device during real time operation is of great importance not…

Mesoscale and Nanoscale Physics · Physics 2017-04-26 Shi-Li Yan , Zhi-Jian Xie , Jian-Hao Chen , Takashi Taniguchi , Kenji Watanabe

When semiconducting transition metal dichalcogenides heterostructures are stacked the twist angle and lattice mismatch leads to a periodic moir\'e potential. As the angle between the layers changes, so do the electronic properties. As the…

We investigate how field-effect doping affects the structural properties, the electronic structure and the Hall coefficient of few-layers transition metal dichalcogenides by using density-functional theory. We consider mono-, bi-, and…

Mesoscale and Nanoscale Physics · Physics 2015-05-05 Thomas Brumme , Matteo Calandra , Francesco Mauri