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Related papers: Emerging versatile two-dimensional MoSi$_2$N$_4$ f…

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Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its interesting electronic properties. Recent experimental advances confirm the possibility of further tuning the electronic properties of MoS2 through the fabrication of…

Materials Science · Physics 2017-04-17 B Mortazavi , A Ostadhossein , T Rabczuk , ACT van Duin

We investigated the interlayer coupling effect in homobilayer structures of MSi2X4 with M = Mo/W and X = N/P/As. Through the combination of first-principles calculations and analytical formulations, the equilibrium interlayer distance,…

Materials Science · Physics 2024-10-08 Qian Wang , Na Zhang , Hongyi Yu

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

Old and novel layered structures are attracting increasing attention for their physical, electronic, and frictional properties. SiS$_2$, isoelectronic to SiO$_2$, CO$_2$ and CS$_2$, is a material whose phases known experimentally up to 6…

Chemical Physics · Physics 2016-09-13 Dušan Plašienka , Roman Martoňák , Erio Tosatti

Nowadays, designing and searching for materials with multiple functional characteristics are the key to achieving high-performance electronic devices. Among many candidates, two-dimensional multiferroic materials have great potential to be…

Materials Science · Physics 2020-11-03 Hai-Peng You , Ning Ding , Jun Chen , Shuai Dong

Transition metal di-iodides such as FeI2, NiI2 and CoI2 are an emerging class of 2D magnets exhibiting rich and diverse magnetic behaviour, but their study at the monolayer limit has been severely hindered by fabrication challenges due to…

The combination of two-dimensional (2D) materials into vertical heterostructures has emerged as a promising path to designer quantum materials with exotic properties. Here, we extend this concept from inorganic 2D materials to 2D…

In view of their immensely intriguing properties, two dimensional materials are being intensely researched in search of novel phenomena and diverse application interests, however, studies on the realization of nanocomposites in the…

The discovery of new families of exfoliatable 2D crystals that have diverse sets of electronic, optical, and spin-orbit coupling properties, enables the realization of unique physical phenomena in these few-atom thick building blocks and in…

2D nanoelectronics based on single-layer MoS2 offers great advantages for both conventional and ubiquitous applications. This paper discusses the large-scale CVD growth of single-layer MoS2 and fabrication of devices and circuits for the…

We perform a comprehensive first-principles study of the electronic properties of van der Waals (vdW) trilayers via intercalating a two-dimensional (2D) monolayer (ML = BN, MoSe2, WS2, or WSe2) between MoS2 bilayer to form various…

Mesoscale and Nanoscale Physics · Physics 2014-03-14 N. Lu , H. Y. Guo , L. Wang , X. J. Wu , X. C. Zeng

Mo2P as a new member of the advancing two-dimensional (2D) materials family has been theoretically identified in this study. We conducted extensive density functional theory calculations to explore the crystal structure, dynamical…

Materials Science · Physics 2017-09-18 Bohayra Mortazavi , Masoud Shahrokhi , Meysam Makaremi , Timon Rabczuk

Semiconducting 2D materials, such as transition metal dichalcogenides (TMDs), are emerging in nanomechanics, optoelectronics, and thermal transport. In each of these fields, perfect control over 2D material properties including strain,…

MoS$_2$, one of transition metal dichalcogenides (TMDs), has caused a lot of attentions for its excellent semiconductor characteristics and potential applications. Here, based on the density functional theory methods, we predict a novel 2D…

Materials Science · Physics 2016-03-23 Peng-Fei Liu , Liujiang Zhou , Thomas Frauenheim , Li-Ming Wu

Ultrathin lateral heterostructures of monolayer MoS2 and WS2 have successfully been realized with the metal-organic chemical vapor deposition method. Atomic-resolution HAADF-STEM observations have revealed that the junction widths of…

Anisotropy is a general feature in materials. Strong anisotropy could lead to interesting physical properties and useful applications. Here, based on first-principles calculations and theoretical analysis, we predict a stable…

Materials Science · Physics 2021-01-04 Jianzhou Zhao , Weikang Wu , Jiaojiao Zhu , Yunhao Lu , Bin Xiang , Shengyuan A. Yang

Group IV and V monolayers are the promising state-of-the-art 2D materials owing to their high carrier mobility, tunable bandgaps, and optical linear dichroism along with outstanding electronic and thermoelectric properties. Furthermore,…

Computational Physics · Physics 2021-07-07 X. Q. Shu , J. H. Lin , H. Zhang

Monolayer transition metal dichalcogenides (e.g., MoS2) exhibit exceptionally large optical nonlinearities for high-order nonlinear light generation (NLG), yet their inherent atomic thickness fundamentally limits light-matter interactions…

The discovery of two-dimensional (2D) van der Waals magnets opened unprecedented opportunities for the fundamental exploration of magnetism in quantum materials and the realization of next generation spintronic devices. Here, based on a…

Mesoscale and Nanoscale Physics · Physics 2022-09-28 Nihad Abuawwad , Manuel dos Santos Dias , Hazem Abusara , Samir Lounis

Transition metal dichalcogenides (TMD) are currently among the most interesting two-dimensional (2D) materials due to their outstanding properties. MoTe2 involves attractive polymorphic TMD crystals which can exist in three different 2D…

Computational Physics · Physics 2018-02-05 Bohayra Mortazavi , Golibjon R Berdiyorov , Meysam Makaremi , Timon Rabczuk