<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Mg</mml:mi><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>OH</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:mo>−</mml:mo><mml:msub><mml:mi>WS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>
 van der Waals heterobilayer: Electric field tunable band-gap crossover

Yagmurcukardes, M.; Torun, Engin; Senger, R. T.; Peeters, F. M.; Şahin, Hasan

doi:10.1103/physrevb.94.195403

Cited by 42 publications

(29 citation statements)

References 52 publications

(80 reference statements)

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“…Multilayer systems offer the possibility for the formation of interlayer excitons besides the intralayer ones [14][15][16][17][18][19][20][21][22][23]. This makes TMD-based heterobilayers (HBLs) potential candidates for ultrafast charge transfer [24], ultrafast formation of hot interlayer excitons [25], interlayer energy transfer [26], valleytronics [27,28], charge transfer [29][30][31][32][33][34][35][36], and long-lived interlayer excitons [37].…”

Section: Introductionmentioning

confidence: 99%

“…On the theoretical side, efforts have focused on the electronic structure, predicting the type-II alignment for several stacking combinations of TMDs using density-functional theory (DFT) calculations [14][15][16][17][18][19][20]39]. For the compounds with type-II band alignment, on the independent particle level, the interlayer transition is the lowest energy transition due to the band offset of the constituent single layers.…”

Section: Introductionmentioning

confidence: 99%

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Interlayer and intralayer excitons in MoS2/WS2 and MoSe2/WSe2 heterobilayer

et al. 2018

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Accurately described excitonic properties of transition metal dichalcogenide heterobilayers (HBLs) are crucial to comprehend the optical response and the charge carrier dynamics of them. Excitons in multilayer systems possess an inter-or intralayer character whose spectral positions depend on their binding energy and the band alignment of the constituent single layers. In this paper, we report the electronic structure and the absorption spectra of MoS 2 /WS 2 and MoSe 2 /WSe 2 HBLs from first-principles calculations. We explore the spectral positions, binding energies, and the origins of inter-and intralayer excitons and compare our results with experimental observations. The absorption spectra of the systems are obtained by solving the Bethe-Salpeter equation on top of a G 0 W 0 calculation, which corrects the independent-particle eigenvalues obtained from density-functional theory. Our calculations reveal that the lowest energy exciton in both HBLs possess an interlayer character which is decisive regarding their possible device applications. Due to the spatially separated nature of the charge carriers, the binding energy of interlayer excitons might be expected to be considerably smaller than that of intralayer ones. However, according to our calculations, the binding energy of lowest energy interlayer excitons is only ∼20% lower due to the weaker screening of the Coulomb interaction between layers of the HBLs. Therefore, it can be deduced that the spectral positions of the interlayer excitons with respect to intralayer ones are mostly determined by the band offset of the constituent single layers. By comparing oscillator strengths and thermal occupation factors, we show that in luminescence at low temperature, the interlayer exciton peak becomes dominant, while in absorption it is almost invisible.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Interlayer and intralayer excitons in MoS2/WS2 and MoSe2/WSe2 heterobilayer

et al. 2018

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“…Magnesium hydroxide (Mg(OH) 2 ), as a typical two-dimensional material with a type-II band structure, has been widely applied in photovoltaic devices and solid-state electronics owing to its rapid electron transport, low exciton recombination rate and efficient photon-harvesting capacity [35,36,37,38,39,40,41,42,43,44]. In contrast with the unstable or metastable two-dimensional materials such as black phosphorus, GaTe and MoTe 2 , the passivated surfaces created by O–H bonds composing of oxygen and hydrogen atoms are beneficial for the prolonged environmental stability of Mg(OH) 2 [36].…”

Section: Introductionmentioning

confidence: 99%

“…In contrast with the unstable or metastable two-dimensional materials such as black phosphorus, GaTe and MoTe 2 , the passivated surfaces created by O–H bonds composing of oxygen and hydrogen atoms are beneficial for the prolonged environmental stability of Mg(OH) 2 [36]. To further extend the application of Mg(OH) 2 in photocatalytic filed, Mg(OH) 2 -based heterojunctions such as Mg(OH) 2 /WS 2 [40, 41], Mg(OH) 2 /MoS 2 [42], and Mg(OH) 2 /AlN [43] have been designed for the extraordinary optical and electronic properties. Mg(OH) 2 based heterostructure can constantly separate the photoexcited electron-hole pairs and owns the decent band edge positions for photocatalytic redox reaction in the built-in electric filed [45,46,47].…”

Section: Introductionmentioning

confidence: 99%

CuInS2/Mg(OH)2 Nanosheets for the Enhanced Visible-Light Photocatalytic Degradation of Tetracycline

et al. 2019

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CuInS2/Mg(OH)2 (CIS/Mg(OH)2) nanosheets have been prepared for the visible light activated photodegradation of tetracycline hydrochloride (TCH). The introduction of CuInS2 has proven to enhance the photocatalytic activity of Mg(OH)2 nanosheets. It’s ascribed to the enhanced transfer and separation of charge carriers at the junction interface between CuInS2 and Mg(OH)2. The photocatalytic activity of obtained CIS/Mg(OH)2 is greatly affected by CuInS2 content, pH value, and inorganic ions. Among these samples, 2-CIS/Mg(OH)2 exhibits the excellent photocatalytic activity and durability for the visible light driven removal of TCH after five cycle times. Atomic force microscope (AFM) images indicate that the surface roughness of 2-CIS/Mg(OH)2 is intensively influenced in adsorption-photocatalysis process. The •O2− and •OH radicals are vital for the visible light driven photocatalytic activity of 2-CIS/Mg(OH)2 for TCH removal.

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“…Also different combinations of lateral heterostructures TMDs such as MoS 2 /WS 2 [32], MoSe 2 /WSe 2 [38] have been extensively studied. In addition to experimental studies, theoretical studies have predicted possible heterostructures of new synthesized single 2D materials, such as Mg(OH) 2 -WS 2 and h-AlN/Mg(OH) 2 [39,40].…”

Section: Introductionmentioning

confidence: 99%

Stability, electronic and phononic properties ofβand 1T structures of SiTe_x(x= 1, 2) and their vertical heterostructures

Kandemir¹,

İyikanat²,

Şahin³

2017

J. Phys.: Condens. Matter

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By performing first-principles calculations, we predict a novel, stable single layer phase of silicon ditelluride, 1T-[Formula: see text], and its possible vertical heterostructures with single layer β-SiTe. Structural optimization and phonon calculations reveal that 1T-[Formula: see text] structure has a dynamically stable ground state. Further analysis of the vibrational spectrum at the [Formula: see text] point shows that single layer 1T-[Formula: see text] has characteristic phonon modes at 80, 149, 191 and 294 [Formula: see text]. Electronic-band structure demonstrates that 1T-[Formula: see text] phase exhibits a nonmagnetic metallic ground state with a negligible intrinsic spin-orbit splitting. Moreover, it is shown that similar structural parameters of 1T-[Formula: see text] and existing β-SiTe phases allows construction of 1T-β heterostructures with a negligible lattice mismatch. In this regard, it is found that two energetically favorable stacking orders, namely AA and [Formula: see text]B, have distinctive shear and layer breathing phonon modes. It is important to note that the combination of semiconducting β-SiTe and metallic 1T-[Formula: see text] building blocks forms ultra-thin Schottky barriers that can be used in nanoscale optoelectronic device technologies.

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Mg(OH)2−WS2 van der Waals heterobilayer: Electric field tunable band-gap crossover

Cited by 42 publications

References 52 publications

Interlayer and intralayer excitons in MoS2/WS2 and MoSe2/WSe2 heterobilayer

Interlayer and intralayer excitons in MoS2/WS2 and MoSe2/WSe2 heterobilayer

CuInS2/Mg(OH)2 Nanosheets for the Enhanced Visible-Light Photocatalytic Degradation of Tetracycline

Stability, electronic and phononic properties ofβand 1T structures of SiTe_x(x= 1, 2) and their vertical heterostructures

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Mg(OH)2−WS2 van der Waals heterobilayer: Electric field tunable band-gap crossover

Cited by 42 publications

References 52 publications

Interlayer and intralayer excitons in MoS2/WS2 and MoSe2/WSe2 heterobilayer

Interlayer and intralayer excitons in MoS2/WS2 and MoSe2/WSe2 heterobilayer

CuInS2/Mg(OH)2 Nanosheets for the Enhanced Visible-Light Photocatalytic Degradation of Tetracycline

Stability, electronic and phononic properties ofβand 1T structures of SiTex(x= 1, 2) and their vertical heterostructures

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Product

Resources

About

Stability, electronic and phononic properties ofβand 1T structures of SiTe_x(x= 1, 2) and their vertical heterostructures