Spatial mapping of exciton transition energy and strain in composition graded WS2(1−<i>x</i>)Se2<i>x</i> monolayer

Jalouli, Alireza; Kilinc, Muhammed; Wang, Peijian; Zeng, Hao; Thomay, Tim

doi:10.1063/5.0021361

Cited by 10 publications

(4 citation statements)

References 42 publications

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“…When the first 2D material, graphene, was isolated, − the nanoelectronics community was very excited, and it ignited the investigation of graphene and many other 2D materials. ,− The graphene thickness measures less than half a nanometer with exceptionally high electronic mobility as an important materials parameter for the transistor channel. Unfortunately, graphene is not suitable for MOSFETs because it is a semimetal and does not have a bandgap, giving rise to an unacceptable source-to-drain leakage current. , Fortunately, other 2D materials like transition-metal dichalcogenides (TMDs) and their derivatives emerged as suitable 2D materials for transistor channels. − While many challenges remain, after a decade of research, transistors made with 2D materials as channel materials have been fabricated with promising characteristics. − …”

Section: Introductionmentioning

confidence: 99%

Two-Dimensional Dielectrics for Future Electronics: Hexagonal Boron Nitride, Oxyhalides, Transition-Metal Nitride Halides, and Beyond

Vandenberghe

Osanloo

2023

ACS Appl. Electron. Mater.

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Recent developments in the field of two-dimensional (2D) van der Waals (vdW) dielectrics have captured great interest because of potential applications of 2D materials in future generations of complementary metal-oxide semiconductor (CMOS) technologies. In this Spotlight article, we highlight the progress we recently made toward the discovery of 2D vdW dielectrics, which will be critical to realizing a vdW transistor technology. We provide an overview of how to calculate the dielectric properties of 2D vdW dielectric candidates from first-principles using density functional theory. Furthermore, we show how to quantify the anticipated leakage current through a 2D vdW dielectric. We illustrate the use of hexagonal boron nitride (h-BN), oxyhalides, transition-metal nitride halides (TMNH), and alkaline hydroxides.

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Section: Introductionmentioning

confidence: 99%

Two-Dimensional Dielectrics for Future Electronics: Hexagonal Boron Nitride, Oxyhalides, Transition-Metal Nitride Halides, and Beyond

Vandenberghe

Osanloo

2023

ACS Appl. Electron. Mater.

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“…Different experimental techniques, such as mechanical exfoliation [ 5 ], epitaxial growth [ 6 ] and chemical vapor deposition [ 7 , 8 ] have been employed to synthesize other prominent 2D vdW compounds, such as large and narrow bandgap semiconductors: hexagonal boron nitride (h-BN) [ 9 ] and black phosphorus [ 10 , 11 ]. The continuous search for other promising 2D materials led to the discovery of the most recognized family of 2D layered materials—transitional metal dichalcogenides (TMDs)—and prompted investigations into their unique and exceptional electronic, optical and magnetic characteristics [ 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 ].…”

Section: Introductionmentioning

confidence: 99%

A First-Principles Study on the Electronic, Thermodynamic and Dielectric Properties of Monolayer Ca(OH)2 and Mg(OH)2

2022

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We perform first-principles calculations to explore the electronic, thermodynamic and dielectric properties of two-dimensional (2D) layered, alkaline-earth hydroxides Ca(OH)2 and Mg(OH)2. We calculate the lattice parameters, exfoliation energies and phonon spectra of monolayers and also investigate the thermal properties of these monolayers, such as the Helmholtz free energy, heat capacity at constant volume and entropy as a function of temperature. We employ Density Functional Perturbation Theory (DFPT) to calculate the in-plane and out-of-plane static dielectric constant of the bulk and monolayer samples. We compute the bandgap and electron affinity values using the HSE06 functional and estimate the leakage current density of transistors with monolayer Ca(OH)2 and Mg(OH)2 as dielectrics when combined with HfS2 and WS2, respectively. Our results show that bilayer Mg(OH)2 (EOT∼0.60 nm) with a lower solubility in water offers higher out-of-plane dielectric constants and lower leakage currents than does bilayer Ca(OH)2 (EOT∼0.56 nm). Additionally, the out-of-plane dielectric constant, leakage current and EOT of Mg(OH)2 outperform bilayer h-BN. We verify the applicability of Anderson’s rule and conclude that bilayers of Ca(OH)2 and Mg(OH)2, respectively, paired with lattice-matched monolayer HfS2 and WS2, are effective structural combinations that could lead to the development of innovative multi-functional Field Effect Transistors (FETs).

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“…Different experimental techniques such as mechanical exfoliation [5], epitaxial growth [6], and chemical vapor deposition [7,8] have been employed to synthesize other prominent 2D vdW compounds, such as large and narrow bandgap semiconductors: hexagonal boron nitride (h-BN) [9], and black phosphorus [10,11]. The continuous search for other promising 2D materials led to the discovery of the most recognized family of 2D layered materials, transitional metal dichalcogenides (TMDs), and prompted investigations into their unique and exceptional electronic, optical, and magnetic characteristics [12,13,14,15,16,17,18,19].…”

Section: Introductionmentioning

confidence: 99%

A First-Principles Study on Electronic, Thermodynamic, and Dielectric Properties of Monolayer Ca(OH)2 and Mg(OH)2

Osanloo¹,

Oyekan²,

Vandenberghe³

2022

Preprint

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We perform first-principles calculations to explore electronic, thermodynamic, and dielectric properties of two-dimensional (2D) layered, alkaline-earth hydroxides Ca(OH) 2 and Mg(OH) 2 .We calculate the lattice parameters, exfoliation energies, and phonon spectra of monolayers and also investigate the thermal properties of these monolayers such as Helmholtz free energy, heat capacity at constant volume, and entropy as a function of temperature. We employ Density Functional Perturbation Theory (DFPT) to calculate the in-plane and out-of-plane static dielectric constant of the bulk and monolayer samples. We compute the bandgap and electron affinity values using the HSE06 functional and estimate the leakage current density of transistors with monolayer Ca(OH) 2 and Mg(OH) 2 as dielectrics when combined with HfS 2 and WS 2 , respectively. Our results show that bilayer Mg(OH) 2 (EOT ∼ 0.60 nm) with a lower solubility in water, offers higher out-of-plane dielectric constants and lower leakage currents than bilayer Ca(OH) 2 (EOT ∼ 0.56 nm). Additionally, the out-of-plane dielectric constant, leakage current, and EOT of Mg(OH) 2 outperform bilayer h-BN. We verify the applicability of Anderson's rule, and conclude that bilayers of Ca(OH) 2 and Mg(OH) 2 respectively paired with lattice-matched

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Spatial mapping of exciton transition energy and strain in composition graded WS2(1−x)Se2x monolayer

Cited by 10 publications

References 42 publications

Two-Dimensional Dielectrics for Future Electronics: Hexagonal Boron Nitride, Oxyhalides, Transition-Metal Nitride Halides, and Beyond

Two-Dimensional Dielectrics for Future Electronics: Hexagonal Boron Nitride, Oxyhalides, Transition-Metal Nitride Halides, and Beyond

A First-Principles Study on the Electronic, Thermodynamic and Dielectric Properties of Monolayer Ca(OH)2 and Mg(OH)2

A First-Principles Study on Electronic, Thermodynamic, and Dielectric Properties of Monolayer Ca(OH)2 and Mg(OH)2

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