Orientation and strain modulated electronic structures in puckered arsenene nanoribbons

Zhang, Z. Y.; Cao, Haining; Zhang, J. C.; Wang, Yanhui; Xue, Desheng; S., M.

doi:10.48550/arxiv.1501.06044

Cited by 2 publications

(2 citation statements)

References 20 publications

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“…In the search of the semiconducting monolayer, the focus is shifted to group V based systems, namely, nitrogenene, arsenene, and antimonene, which are nitrogen, arsenic and antimony based monolayers respectively. They have also been predicted to be stable by first-principles calculations [24][25][26][27][28][29] . In case of group III monolayers, planar aluminene, monolayer of aluminum, is predicted to be stable but it is a metal 30 .…”

Section: Introductionmentioning

confidence: 96%

Direct band gaps in group IV-VI monolayer materials: Binary counterparts of phosphorene

2016

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We perform systematic investigation on the geometric, energetic and electronic properties of group IV-VI binary monolayers (XY), which are the counterparts of phosphorene, by employing density functional theory based electronic structure calculations. For this purpose, we choose the binary systems XY consisting of equal numbers of group IV (X = C, Si, Ge, Sn) and group VI elements (Y = O, S, Se, Te) in three geometrical configurations, the puckered, buckled and planar structures. The results of binding energy calculations show that all the binary systems studied are energetically stable. It is observed that, the puckered structure, similar to that of phosphorene, is the energetically most stable geometric configuration. Moreover, the binding energies of buckled configuration are very close to those of the puckered configuration. Our results of electronic band structure predict that puckered SiO and CSe are direct band semiconductors with gaps of 1.449 and 0.905 eV, respectively. Band structure of CSe closely resembles that of phosphorene. Remaining group IV-VI binary monolayers in the puckered configuration and all the buckled monolayers are also semiconductors, but with indirect band gaps. Importantly, we find that the difference between indirect and direct band gaps is very small for many puckered monolayers. Thus, there is a possibility of making these systems undergo transition from indirect to direct band gap semiconducting state by a suitable external influence. Indeed, we show in the present work that seven binary monolayers namely SnS, SiSe, GeSe, SnSe, SiTe, GeTe and SnTe become direct band gap semiconductors when they are subjected to a small mechanical strain (≤ 3 %). This makes nine out of sixteen binary monolayers studied in the present work direct band gap semiconductors. Thus, there is a possibility of utilizing these binary counterparts of phosphorene in future light-emitting diodes and solar cells.

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Section: Introductionmentioning

confidence: 96%

Direct band gaps in group IV-VI monolayer materials: Binary counterparts of phosphorene

2016

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“…Recently, arsenene, a singlelayer group V allotrope of arsenic with a puckered structure, was proposed by Kamal and Zhang et al [8][9][10] and immediately received considerable attention. 11,12) Arsenene has substantially different electronic properties; in particular, it possesses a large non-zero band gap, high carrier mobility of ∼10 3 cm 2 =(V•s), and on=off ratio of ∼10 4 at room temperature, and thus can be applied to the channel of a field effect transistor (FET) device. Therefore, if introduced as an alternative to a group IV honeycomb counterpart, arsenene may lead to faster semiconductor electronics in the future.Generally, introducing defects, including adsorption, substitution, and intrinsic defects, into 2D materials is of fundamental importance because doing so enables a wide range of nanoelectronic devices by modulating their electronic properties.…”

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confidence: 99%

Unexpected band structure and half-metal in non-metal-doped arsenene sheet

Wang

2015

Appl. Phys. Express

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We performed a first-principles study on two-dimensional (2D) arsenene doped with non-magnetic elements. It was found that dopants (groups III, V, and VII) with odd numbers of valence electrons maintained the semiconducting character of the pristine system, while those (groups IV and VI) with even numbers of valence electrons caused the metallic character to change. Remarkably, the C-and O-doped systems were spin-polarized and could be modulated into half-metals by the external electric field. Our findings reveal a potential method of engineering buckled arsenene for applications in nanoelectronics. G raphene, which has a two-dimensional (2D) sp 2hybridized carbon monolayer structure, has attracted great interest owing to its peculiar electronic properties that allow electrons to move freely within its surface at high speeds. 1-4) However, it lacks an intrinsic band gap, which causes difficulty in applying graphene in electronic devices. The same problem also exists in 2D silicene, 5) germanene, 6) and stanene, 7) which are other well-known group IV monolayers that have remarkable electronic properties similar to those of graphene, but have sp 2 +sp 3 hybridized buckled honeycomb structures. Recently, arsenene, a singlelayer group V allotrope of arsenic with a puckered structure, was proposed by Kamal and Zhang et al. [8][9][10] and immediately received considerable attention. 11,12) Arsenene has substantially different electronic properties; in particular, it possesses a large non-zero band gap, high carrier mobility of ∼10 3 cm 2 =(V·s), and on=off ratio of ∼10 4 at room temperature, and thus can be applied to the channel of a field effect transistor (FET) device. Therefore, if introduced as an alternative to a group IV honeycomb counterpart, arsenene may lead to faster semiconductor electronics in the future.Generally, introducing defects, including adsorption, substitution, and intrinsic defects, into 2D materials is of fundamental importance because doing so enables a wide range of nanoelectronic devices by modulating their electronic properties. These defects significantly alter the electronic and magnetic properties, which include half-metal characteristics, 13,14) the quantum spin Hall effect, 15) and the quantum valley effect. 16) Despite many interesting studies on group IV monolayers, the tunable electronic properties of arsenene have rarely been reported on in previous works.We studied the electronic structures and magnetic properties of arsenene doped with group III, IV, V, VI, and VII elements, by using first-principles calculations. We found that all of these dopants were easily substituted for As atoms in arsenene at room temperature. All the dopants with odd numbers of valence electrons maintained the semiconducting character with a band gap similar to that of the pristine aresenene, while those with even numbers of valence electrons caused the metallic character to change. More importantly, for the Cand O-doped cases, half-metals with 100% spin-polarized currents could be obtained by appropriate...

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Orientation and strain modulated electronic structures in puckered arsenene nanoribbons

Cited by 2 publications

References 20 publications

Direct band gaps in group IV-VI monolayer materials: Binary counterparts of phosphorene

Direct band gaps in group IV-VI monolayer materials: Binary counterparts of phosphorene

Unexpected band structure and half-metal in non-metal-doped arsenene sheet

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