Strain-induced band gap engineering in layered TiS3

Biele, Robert; Flores, Eduardo; Ares, J.R.; Sánchez, Carlos; Ferrer, Isabel J.; Rubio‐Bollinger, Gabino; Castellanos-Gómez, Andrés; D’Agosta, Roberto

doi:10.1007/s12274-017-1622-3

Cited by 39 publications

(39 citation statements)

References 42 publications

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“…In contrast, for the monolayer, superficial S vacancies lightly affect the electronic properties. 153 Recently, considerable attention on strain induced band-gap modulation on MX3 has been drawn 25,26,48,147,[154][155][156][157] . The ability to control the band gap and its nature can have a wide impact on the use of TMTCs, and in particular TiS3, for optical applications.…”

Section: Electronic Structurementioning

confidence: 99%

“…The ability to control the band gap and its nature can have a wide impact on the use of TMTCs, and in particular TiS3, for optical applications. Indeed, by inducing tensile or compressive strain in certain directions of the unit cell one can either increase or decrease the band gap 155 . In 12 addition to this, a direct-indirect gap transition can be induced in TiS3 layered materials by applying a compressive strain in the easy electronic transport direction 155 .…”

Section: Electronic Structurementioning

confidence: 99%

“…Indeed, by inducing tensile or compressive strain in certain directions of the unit cell one can either increase or decrease the band gap 155 . In 12 addition to this, a direct-indirect gap transition can be induced in TiS3 layered materials by applying a compressive strain in the easy electronic transport direction 155 . This opens up the door of experimentally engineering the electronic and optical properties of the material, separately.…”

Section: Electronic Structurementioning

confidence: 99%

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Electronics and optoelectronics of quasi-1D layered transition metal trichalcogenides

et al. 2017

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The isolation of graphene and transition metal dichalcongenides has opened a veritable world to a great number of layered materials which can be exfoliated, manipulated, and stacked or combined at will. With continued explorations expanding to include other layered materials with unique attributes, it is becoming clear that no one material will fill all the post-silicon era requirements. Here we review the properties and applications of layered, quasi-one dimensional transition metal trichalcogenides (TMTCs) as novel materials for next generation electronics and optoelectronics. The TMTCs present a unique chain-like structure which gives the materials their quasi-one dimensional properties such as high anisotropy ratios in conductivity and linear dichroism. The range of band gaps spanned by this class of materials (0.2 eV-2 eV) makes them suitable for a wide variety of applications including field-effect transistors, infrared, visible and ultraviolet photodetectors, and unique applications related to their anisotropic properties which opens another degree of freedom in the development of next generation electronics. In this review we survey the historical development of these remarkable materials with an emphasis on the recent activity generated by the isolation and characterization of atomically thin titanium trisulfide (TiS3).

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Section: Electronic Structurementioning

confidence: 99%

Section: Electronic Structurementioning

confidence: 99%

Section: Electronic Structurementioning

confidence: 99%

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Electronics and optoelectronics of quasi-1D layered transition metal trichalcogenides

et al. 2017

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“…For instance, in contrast to the layered TMDCs, TiS 3 exhibits a direct band gap in both monolayer and bulk form of about 1 eV. It is important to note that the band gap and its direct character depend very slightly on the thickness and the stacking order of the constituent layers [23][24][25][26]; it changes slightly on the other hand with the application of tensile stress to the material [27]. It has also been shown that TiS 3 transistors show very high electron mobility and the current-voltage characteristics exhibit strong nonlinearity [28,29].…”

Section: Introductionmentioning

confidence: 99%

Ab initio and semiempirical modeling of excitons and trions in monolayer TiS3

et al. 2018

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We explore the electronic and the optical properties of monolayer TiS 3 , which shows in-plane anisotropy and is composed of a chain-like structure along one of the lattice directions. Together with its robust direct band gap, which changes very slightly with stacking order and with the thickness of the sample, the anisotropic physical properties of TiS 3 make the material very attractive for various device applications. In this study, we present a detailed investigation on the effect of the crystal anisotropy on the excitons and the trions of the TiS 3 monolayer. We use many-body perturbation theory to calculate the absorption spectrum of anisotropic TiS 3 monolayer by solving the Bethe-Salpeter equation. In parallel, we implement and use a Wannier-Mott model for the excitons that takes into account the anisotropic effective masses and Coulomb screening, which are obtained from ab initio calculations. This model is then extended for the investigation of trion states of monolayer TiS 3 . Our calculations indicate that the absorption spectrum of monolayer TiS 3 drastically depends on the polarization of the incoming light, which excites different excitons with distinct binding energies. In addition, the binding energies of positively and the negatively charged trions are observed to be distinct and they exhibit an anisotropic probability density distribution.

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“…Titanium trisulfide (TiS3) is a layered semiconductor which has attracted much attention recently thanks to its quasi-1D electronic and optoelectronic properties [15][16][17][18] and its direct bandgap of 1.1 eV [19][20][21][22][23][24][25] . Using first-principles calculations, Iyikanat et al showed that TiS3 can react with various forms of oxygen 26 .…”

Section: Main Textmentioning

confidence: 99%

Tunable Photodetectors via in Situ Thermal Conversion of TiS<sub>3</sub> to TiO<sub>2</sub>

Ghasemi¹,

Frinsenda²,

Flores³

et al. 2020

Preprint

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In two-dimensional materials research, oxidation is usually considered as a common source for the degradation of electronic and optoelectronic devices or even device failure. However, in some cases a controlled oxidation can open the possibility to widely tune the band structure of 2D materials. In particular, we demonstrate the controlled oxidation of titanium trisulfide (TiS3), a layered semiconductor that attracted much attention recently thanks to its quasi-1D electronic and optoelectronic properties and its direct bandgap of 1.1 eV. Heating TiS3 in air above 300 °C gradually converts it into TiO2, a semiconductor with a wide bandgap of 3.2 eV with applications in photo-electrochemistry and catalysis. In this work, we investigate the controlled thermal oxidation of individual TiS3 nanoribbons and its influence on the optoelectronic properties of TiS3-based photodetectors. We observe a step-wise change in the cut-off wavelength from its pristine value ~1000 nm to 450 nm after subjecting the TiS3 devices to subsequent thermal treatment cycles. Ab-initio and many-body calculations confirm an increase of the bandgap of titanium oxysulfide (TiO2-xSx) when increasing the amount of oxygen and reducing the amount of sulfur.

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Strain-induced band gap engineering in layered TiS3

Abstract: By combining ab initio calculations and experiments we demonstrate how the band gap of the transition metal tri-chalcogenide TiS 3 can be modified by inducing tensile or compressive strain. We show by numerical calculations that the electronic band gap of layered TiS 3 can be

Cited by 39 publications

References 42 publications

Electronics and optoelectronics of quasi-1D layered transition metal trichalcogenides

Electronics and optoelectronics of quasi-1D layered transition metal trichalcogenides

Ab initio and semiempirical modeling of excitons and trions in monolayer TiS3

Tunable Photodetectors via in Situ Thermal Conversion of TiS<sub>3</sub> to TiO<sub>2</sub>

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