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Two-dimensional (2D) layered materials, transition metal dichalcogenides and black phosphorus, have attracted much interest from the viewpoints of fundamental physics and device applications. The establishment of new functionalities in…

The two-dimensional layer of molybdenum disulfide (MoS2) has recently attracted much interest due to its direct-gap property and potential applications in optoelectronics and energy harvesting. However, the synthetic approach to obtain high…

Recent advancements in 2D materials have revealed the potential of van der Waals magnets, and specifically of their magnetic anisotropy that allows applications down to the 2D limit. Among these materials, CrSBr has emerged as a promising…

Two-dimensional (2D) MoSi$_2$N$_4$ monolayer is an emerging class of air-stable 2D semiconductor possessing exceptional electrical and mechanical properties. Despite intensive recent research efforts devoted to uncover the material…

材料科学 · 物理学 2021-02-03 Liemao Cao , Guanghui Zhou , Qianqian Wang , L. K. Ang , Yee Sin Ang

In this work, we present a high-throughput first-principles study of elastic properties of bulk and monolayer materials mainly using the vdW-DF-optB88 functional. We discuss the trends on the elastic response with respect to changes in…

材料科学 · 物理学 2018-07-18 Kamal Choudhary , Gowoon Cheon , Evan Reed , Francesca Tavazza

We propose an insulating 2D phase of IrO$_{2}$, predicted by $\textit{ab initio}$ evolutionary algorithms. The predicted phase is a van der Waals crystal, in which Ir forms a triangular lattice, and is energetically competitive with the…

强关联电子 · 物理学 2019-12-20 Andriy Smolyanyuk , Markus Aichhorn , I. I. Mazin , Lilia Boeri

We study the anisotropic in-plane optical conductivity of detwinned Ba(Fe1-xCox)2As2 single crystals for x=0, 2.5% and 4.5% in a broad energy range (3 meV-5 eV) across their structural and magnetic transitions. For temperatures below the…

强关联电子 · 物理学 2016-11-25 A. Lucarelli , A. Dusza , A. Sanna , S. Massidda , J. -H. Chu , I. R. Fisher , L. Degiorgi

Two-dimensional (2D) ferromagnets and their heterostructures offer fertile grounds for designing fascinating functionalities in ultra-thin spintronic devices. Here, by first-principles calculations, we report the discovery of energetically…

材料科学 · 物理学 2024-06-19 Xiang-Fan Huang , Kang-Jie Li , Zequan Wang , Shi-Bo Zhao , Bing Shen , Zu-Xin Chen , Yusheng Hou

Controlling the spectral and polarization responses of two-dimensional (2D) crystals is vital for developing ultra-thin platforms for compact optoelectronic devices. However, independently tuning optical anisotropy and spectral response…

介观与纳米尺度物理 · 物理学 2025-02-04 Tomojit Chowdhury , Fauzia Mujid , Zehra Naqvi , Ariana Ray , Ce Liang , David A. Muller , Nathan P. Guisinger , Jiwoong Park

Recent techniques have allowed transition metal dichalcogenides (TMD) monolayers to be grown and adequately characterised. Of particular interest, their nonlinear optical response presents many promising opportunities for future…

介观与纳米尺度物理 · 物理学 2020-03-06 David N. Carvalho , Fabio Biancalana

Hyperbolic materials are of particular interest for the next generation of photonic and optoelectronic devices. Since artificial metamaterials are intrinsically limited by the size of their nanostructured components, there has been a hunt…

材料科学 · 物理学 2020-09-02 Saeideh Edalati-Boostan , Caterina Cocchi , Claudia Draxl

Phosphorene is a two-dimensional (2D) material exhibiting strong in-plane structural anisotropy. In this work, we investigate the influence of structural anisotropy on the optics, dynamics, and transport of excitons in phosphorene by…

介观与纳米尺度物理 · 物理学 2025-09-04 Kai-Wei Chang , Joshua J. P. Thompson , Bartomeu Monserrat

Topological semimetal phases in two-dimensional (2D) materials have gained widespread interest due to their potential applications in developing nanoscale devices. Despite the prediction of the Dirac/Weyl points in a wide variety of 2D…

We study the influence of anisotropy, treated as a dimensional crossover between 1D and 3D system, on the topological instability induced by a (self-consistent) uniaxial periodic potential. The mechanism on which the instability is based…

材料科学 · 物理学 2021-03-04 Marin Spaić , Danko Radić

In a very recent experimental work [Gao et al., 2018 Adv. Mater. 30, 1707055], a graphene-like CuSe monolayer was realized. Motivated by this success, we performed first-principles calculations to investigate its electronic transport and…

介观与纳米尺度物理 · 物理学 2019-04-18 Yipeng An , Yusheng Hou , Hui Wang , Jie Li , Ruqian Wu , Chengyan Liu , Tianxing Wang , Jutao Jiao

Perhaps the most significant progress to the field of infrared optics and nanophotonics has been made through the real space realisation of polaritons in two-dimensional materials that provide maximum light confinement functionalities. The…

光学 · 物理学 2022-06-28 Babar Shabbir , Weiliang Ma , Qiaoliang Bao

Tetragonal Mo5PB2 compound, a recently discovered superconductor, belongs to technologically important class of materials. It is quite surprising to note that a large number of physical properties of Mo5PB2, including elastic properties and…

材料科学 · 物理学 2021-05-12 M. I. Naher , M. A. Afzal , S. H. Naqib

Materials with large magnetocrystalline anisotropy and strong electric field effects are highly needed to develop new types of memory devices based on electric field control of spin orientations. Instead of using modified transition metal…

材料科学 · 物理学 2017-08-02 Xuelei Sui , Tao Hu , Jianfeng Wang , Bing-Lin Gu , Wenhui Duan , Mao-sheng Miao

The peculiar band structure of semimetals exhibiting Dirac and Weyl crossings can lead to spectacular electronic properties such as large mobilities accompanied by extremely high magnetoresistance. In particular, two closely neighbouring…

Molybdenum disulfide (MoS$_2$) is a promising material for making two-dimensional crystals and flexible electronic and optoelectronic devices at the nanoscale. MoS$_2$ flakes can show high mobilities and have even been integrated in…

材料科学 · 物理学 2015-06-15 Mohamed Boukhicha , Matteo Calandra , Marie-Aude Measson , Ophelie Lancry , Abhay Shukla