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Since the emergence of monolayer graphene as a promising two-dimensional material, many other monolayer and few-layer materials have been investigated extensively. An experimental study of few-layer Si2Te3 was recently reported, showing…

Materials Science · Physics 2016-05-13 Yevgeniy Puzyrev , X. Shen , C. Combs , S. T. Pantelides

Silicon telluride (Si2Te3) is a silicon-based 2D chalcogenide with potential applications in optoelectronics. It has a unique crystal structure where Si atoms form Si-Si dimers to occupy the "metal" sites. In this paper, we report an ab…

Materials Science · Physics 2019-06-27 Romakanta Bhattarai , Xiao Shen

The high-pressure behavior of silicon telluride (Si2Te3), a two-dimensional (2D) layered material, was investigated using synchrotron X-ray powder diffraction in a diamond anvil cell to 11.5 GPa coupled with first-principles theory. Si2Te3…

Materials Science · Physics 2024-10-10 Bohan Li , Frank Cerasoli , Ethan Chen , Martin Kunz , Davide Donadio , Kristie J. Koski

Silicon telluride (Si2Te3) is a two-dimensional semiconductor with unique structural properties due to the size contrast between Si and Te atoms. A recent experiment shows that the material turns metallic under hydrostatic pressure, while…

Materials Science · Physics 2021-01-11 Romakanta Bhattarai , Xiao Shen

We report a combined experimental and computational study of the optical properties of individual silicon telluride (Si2Te3) nanoplates. The p-type semiconductor Si2Te3 has a unique layered crystal structure with hexagonal closed-packed Te…

Materials Science · Physics 2020-06-23 Jiyang Chen , Romakanta Bhattarai , Jingbiao Cui , Xiao Shen , Thang Hoang

Discovery and design of two-dimensional (2D) materials with suitable band gaps and high carrier mobility is of vital importance for photonics, optoelectronics, and high-speed electronics. In this work, based on first principles calculations…

Materials Science · Physics 2021-01-27 Huta R. Banjade , Jinbo Pan , Qimin Yan

Two-dimensional (2D) topological insulators (TIs), a new state of quantum matter, are promising for achieving the low-power-consuming electronic devices owning to the remarkable robustness of their conducting edge states against…

Materials Science · Physics 2016-11-15 Yandong Ma , Liangzhi Kou , Ying Dai , Thomas Heine

Employing ab initio electronic calculations, we propose a new type of two-dimensional (2D) topological insulator (TI), monolayer (ML) low buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gaps. Monolayer…

Mesoscale and Nanoscale Physics · Physics 2015-10-19 Jin Li , Chaoyu He , Lijun Meng , Huaping Xiao , Chao Tang , Xiaolin Wei , Jinwoong Kim , Nicholas Kioussis , G. Malcolm Stocks , Jianxin Zhong

A new two-dimensional (2D) layered material, namely, titanium trisulfide (TiS$_3$) monolayer sheet, is predicted to possess desired electronic properties for nanoelectronic applications. On basis of the first-principles calculations within…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 Jun Dai , Xiao Cheng Zeng

Bi2Se3 is theoretically predicted1 2and experimentally observed2,3 to be a three dimensional topological insulator. For possible applications, it is important to understand the electronic structure of the planar device. In this work,…

2H phase (trigonal prismatic D3h) of layered two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted a lot of interests due to the superior electronic and optoelectronic properties. However, flexible electronic devices…

Computational Physics · Physics 2019-06-04 Yi Wang , Zhibin Gao , Jun Zhou

In recent years, researchers have manifested their interest in the two-dimensional (2D) mono-elemental materials of group-VI elements because of their excellent optoelectronic, photovoltaic and thermoelectric properties. Despite the…

Materials Science · Physics 2023-05-22 Jaspreet Singh , Ashok Kumar

Two-dimensional (2D) metallic systems with intrinsically low lattice thermal conductivity are rare, yet they are of great interest for next-generation energy and electronic technologies. Here, we present a comprehensive first-principles…

A two dimensional (2D) Group-VI Te monolayer, tellurene, is predicted by using the first-principles calculations, which consists of planner four-membered and chair-like six-membered rings arranged alternately in a 2D lattice. The phonon…

Mesoscale and Nanoscale Physics · Physics 2016-05-12 Z. Zhu , C. Cai , C. Niu , C. Wang , Q. Sun , X. Han , Z. Guo , Y. Jia

Here, we report by first-principles calculations one new stable 2D Dirac material, Ta2Se3 monolayer. For this system, stable layered bulk phase exists, and exfoliation should be possible. Ta2Se3 monolayer is demonstrated to support two…

Materials Science · Physics 2017-03-21 Yandong Ma , Yu Jing , Thomas Heine

By means of extensive ab initio calculations, a new two-dimensional (2D) atomic material tin selenide monolayer (coined as tinselenidene) is predicted to be a semiconductor with an indirect gap (1.45 eV) and a high hole mobility (of order…

Materials Science · Physics 2020-09-22 Li-Chuan Zhang , Guangzhao Qin , Wu-Zhang Fang , Hui-Juan Cui , Qing-Rong Zheng , Qing-Bo Yan , Gang Su

Atomically thin transitional metal ditellurides like WTe2 and MoTe2 have triggered tremendous research interests because of their intrinsic nontrivial band structure. They are also predicted to be 2D topological insulators and type-II Weyl…

Three-dimensional (3D) topological insulators (TI) are novel quantum materials with insulating bulk and topologically protected metallic surfaces with Dirac-like band structure. The spin-helical Dirac surface states are expected to host…

Contemporary science is witnessing a rapid expansion of the two-dimensional (2D) materials family, each member possessing intriguing emergent properties of fundamental and practical importance. Using the particle-swarm optimization method…

Mesoscale and Nanoscale Physics · Physics 2017-09-13 Zhili Zhu , Xiaolin Cai , Chunyao Niu , Seho Yi , Zhengxiao Guo , Feng Liu , Jun-Hyung Cho , Yu Jia , Zhenyu Zhang

The mechanical stretchability is the magnitude of strain which a material can suffer before it breaks. Materials with high mechanical stretchability, which can reversibly withstand extreme mechanical deformation and cover arbitrary surfaces…

Materials Science · Physics 2015-01-20 Ming Yang , Wu-Ming Liu
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