Intrinsic electrical transport properties of monolayer silicene and MoS<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>from first principles

Li, Xiaodong; Mullen, Jeffrey; Jin, Zhenghe; Borysenko, K. M.; Nardelli, Marco Buongiorno; Kim, Ki Wook

doi:10.1103/physrevb.87.115418

Cited by 417 publications

(458 citation statements)

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“…To gauge the range of intrinsic f T that can be expected from TMD TFTs, we examine the case of a modest mobility (mB30 cm 2 V À 1 s À 1 ) for the lowend low-field limit, and a theoretically estimated v sat B4 Â 10 6 cm s À 1 (ref. 27) for the high-end high-field limit. Under this treatment, the expected f T performance range is shown in Fig.…”

Section: Contemporary Flexible Performancementioning

confidence: 99%

“…In addition, semiconducting metal dichalcogenides (for example, SnS 2 and SnSe 2 ) and buckled graphene analogues (Xenes) have recently emerged as candidate 2D crystals for flexible nanoelectronics and are currently under growing theoretical and experimental studies [26][27][28]40 . At the moment, the study of Xenes is at a nascent state compared to the other 2D crystals, with many basic questions of interest, including their air stability and further understanding of the effects of a wide range of interfaces on their electronic properties.…”

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confidence: 99%

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Two-dimensional flexible nanoelectronics

2014

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represents the tenth anniversary of modern graphene research. Over this decade, graphene has proven to be attractive for thin-film transistors owing to its remarkable electronic, optical, mechanical and thermal properties. Even its major drawback-zero bandgap-has resulted in something positive: a resurgence of interest in two-dimensional semiconductors, such as dichalcogenides and buckled nanomaterials with sizeable bandgaps. With the discovery of hexagonal boron nitride as an ideal dielectric, the materials are now in place to advance integrated flexible nanoelectronics, which uniquely take advantage of the unmatched portfolio of properties of two-dimensional crystals, beyond the capability of conventional thin films for ubiquitous flexible systems.T wo-dimensional (2D) atomic sheets are atomically thin, layered crystalline solids with the defining characteristics of intralayer covalent bonding and interlayer van der Waals bonding 1-3 . The expanding portfolio of atomic sheets illustrated in Fig. 1a currently include the archetypical 2D crystal graphene 3-14 , transition metal dichalcogenides (TMDs) 1,2,15-21 , diatomic hexagonal boron nitride (h-BN) 3,[22][23][24][25] , and emerging monoatomic buckled crystals collectively termed Xenes, which include silicene 2,26,27 , germanene 2 and phosphorene [28][29][30][31] . These materials are considered 2D because they represent the thinnest unsupported crystalline solids that can be realized, possess no dangling surface bonds and show superior intralayer (versus interlayer) transport of fundamental excitations (charge, heat, spin and light). The portfolio is expected to grow as more elemental and compound sheets are uncovered.The outstanding properties of 2D crystals have generated immense interest for both conventional semiconductor technology and the nascent flexible nanotechnology because, amongst other considerations, these atomic sheets afford the ultimate thickness scalability desired in a variety of essential material categories, including semiconductors, insulators, transparent conductors and transducers 3,16,18 . In particular, flexible nanoelectronics stand to greatly benefit from the development of 2D crystals because their unmatched combination of device physics and device mechanics is accessible on soft polymeric or plastic substrates 17,18,32,33 , which can enable the long sought after large-area high-performance flexible devices that can be manufactured at economically viable scales. As a result, existing flexible technology is expected to be transformed from low-cost commodity applications, such as radio-frequency identification tags and sensors, to integrated nanosystems with electronic performance comparable to silicon devices, in addition to affording mechanical flexibility and manufacturing form-factor beyond the capability of conventional semiconductor technology 34 . Hence, a new era in integrated flexible technology founded on 2D crystals is emerging.

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Section: Contemporary Flexible Performancementioning

confidence: 99%

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confidence: 99%

Two-dimensional flexible nanoelectronics

2014

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“…In contrast to flat graphene, silicene possesses a low-buckled structure with a buckled height of about 0.44 Å [7][8]. Nevertheless, silicene exhibits excellent electronic properties [7][8][9][10][11][12][13][14][15] similar to those of graphene [16][17][18][19][20]. Its band structure exhibits a linear dispersion and shows characteristic massless Dirac fermions with the Fermi velocity of 10 5 -10 6 ms -1 [7,12,15].…”

Section: Introductionmentioning

confidence: 99%

Point defects in epitaxial silicene on Ag(111) surfaces

Liu

Feng

et al. 2016

2D Mater.

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Silicene, a counterpart of graphene, has achieved rapid development due to its exotic electronic properties and excellent compatibility with the mature silicon-based semiconductor technology. Its low room-temperature mobility of ~100 cm2 V−1 s−1, however, inhibits device applications such as in field-effect transistors. Generally, defects and grain boundaries would act as scattering centers and thus reduce the carrier mobility. In this paper, the morphologies of various point defects in epitaxial silicene on Ag(111) surfaces have been systematically investigated using first-principles calculations combined with experimental scanning tunneling microscope (STM) observations. The STM signatures for various defects in epitaxial silicene on Ag(111) surface are identified. In particular, the formation energies of point defects in Ag(111)-supported silicene sheets show an interesting dependence on the superstructures, which, in turn, may have implications for controlling the defect density during the synthesis of silicene. Through estimating the concentrations of various point defects in different silicene superstructures, the mystery of the defective appearance of $\sqrt{13}\times \sqrt{13}$ and $2\sqrt{3}\times 2\sqrt{3}$ silicene in experiments is revealed, and 4 x 4 silicene sheet is thought to be the most suitable structure for future device applications. , however, inhibits device applications such as in field-effect transistors. Generally, defects and grain boundaries would act as scattering centers and thus reduce the carrier mobility. In this paper, the morphologies of various point defects in epitaxial silicene on Ag(111) surfaces have been systematically investigated using first-principles calculations combined with experimental scanning tunneling microscope (STM) observations. The STM signatures for various defects in epitaxial silicene on Ag(111) surface are identified. In particular, the formation energies of point defects in Ag(111)-supported silicene sheets show an interesting dependence on the superstructures, which, in turn, may have implications for controlling the defect density during the synthesis of silicene. Through estimating the concentrations of various point defects in different silicene superstructures, the mystery of the defective appearance of 13 × 13 and 2 3 ×2 3 silicene in experiments is revealed, and 4×4 silicene sheet is thought to be the most suitable structure for future device applications. Disciplines Engineering | Physical Sciences and Mathematics2

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“…[13] The calculated intrinsic phonon-limited carrier mobility in monolayer graphene [18] and TMD crystals [19,20] is usually much higher than what is measured in experiments, [4,10,17,[21][22][23][24] suggesting that defect and charged impurity scattering are the key mobility-limiting mechanism even at room temperature. For example, the phonon-limited electron mobility in single-layer MoS 2 is estimated [19,25] to be around 200 to 410 cm 2 V −1 s −1 at room temperature while the measured electron mobility is at least one order of magnitude smaller at around 20 cm 2 V −1 s −1 even in the metallic phase.…”

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Anisotropic charged impurity-limited carrier mobility in monolayer phosphorene

Ong

Zhang

2014

Journal of Applied Physics

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The room temperature carrier mobility in atomically thin 2D materials is usually far below the intrinsic limit imposed by phonon scattering as a result of scattering by remote charged impurities in its environment. We simulate the charged impurity-limited carrier mobility µ in bare and encapsulated monolayer phosphorene. We find a significant temperature dependence in the carrier mobilities (µ ∝ T −γ ) that results from the temperature variability of the charge screening and varies with the crystal orientation. The anisotropy in the effective mass leads to an anisotropic carrier mobility, with the mobility in the armchair direction about one order of magnitude larger than in the zigzag direction. In particular, this mobility anisotropy is enhanced at low temperatures and high carrier densities. Under encapsulation with a high-κ overlayer, the mobility increases by up to an order of magnitude although its temperature dependence and its anisotropy are reduced.The search for alternatives to graphene for nanoelectronic applications has expanded lately to include transition metal dichalcogenides (TMDs) [1][2][3][4] and other atomically thin two-dimensional (2D) crystals. [5,6] Phosphorene, an ultrathin form of black phosphorus (BP), has recently garnered considerable interest because of its potentially high carrier mobility (∼ 300 cm 2 V −1 s −1 in few-layer samples [7]), direct band gap [8] and electrical conductance anisotropy. [9] In contrast, measurements of unprocessed monolayer TMD crystals have yielded room-temperature mobilities typically below 10 cm 2 V −1 s −1 [10] although the mobility in similarly thick multilayer MoS 2 has been measured to be around 200 cm 2 V −1 s −1 .[11] However, recent experimental studies of the hole mobility in few-layer BP suggest that thinning phosphorene leads to a substantial reduction in the mobility, [8,12] possibly due to the closer proximity between the charge carriers and remote Coulomb impurities in the substrate. Extrapolating to a single phosphorene layer, the carrier mobility would ultimately be limited by charged impurity scattering even at room temperature, as in monolayer MoS 2 . [13] Despite intense theoretical interest in monolayer phosphorene, [14,15] there has not been a successful demonstration of a working monolayer phosphorene-based field-effect transistor (FET) to date.[8] Nonetheless, the eventual realization of such a device is highly probable in our opinion since monolayer phosphorene has been physically isolated [8]. The atomic thinness of a monolayer 2D crystal also allows for higher on-off current ratios, providing superior electrostatic modulation of the channel carrier density via an external gate. In a FET, this results in small off-currents and large switching ratios which are advantageous for low-power device applications. Thus, it would be advantageous to have a model of charge transport in supported monolayer phosphorene that takes into account its anisotropic character and can be used to interpret electrical transport data from realistic phosph...

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Intrinsic electrical transport properties of monolayer silicene and MoS2from first principles

Cited by 417 publications

References 40 publications

Two-dimensional flexible nanoelectronics

Two-dimensional flexible nanoelectronics

Point defects in epitaxial silicene on Ag(111) surfaces

Anisotropic charged impurity-limited carrier mobility in monolayer phosphorene

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