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Dynamic second-order nonlinear susceptibilities, $\chi^{(2)}(2\omega,\omega,\omega)\equiv \chi^{(2)}(\omega)$, are calculated here within a fully first-principles scheme for monolayered molybdenum dichalcogenides, $2H$-MoX$_2$ (X=S,Se,Te).…

Materials Science · Physics 2015-12-21 S. H. Rhim , Yong Soo Kim , A. J. Freeman

The recently discovered two-dimensional (2D) layered semiconductor MoSi2N4 has aroused great interest due to its unique 2D material characteristics. In this Letter, we found that differences in the structural details for MoSi2N4 may lead to…

Mesoscale and Nanoscale Physics · Physics 2021-05-12 Lei Kang , Zheshuai Lin

Monolayer transition-metal dichalcogenides (TMDCs) present high second-order optical nonlinearity, which is extremely desirable for, e.g., frequency conversion in nonlinear photonic devices. On the other hand, the atomic thickness of 2D…

Mesoscale and Nanoscale Physics · Physics 2020-11-17 Pilar G. Vianna , Aline dos S. Almeida , Rodrigo M. Gerosa , Dario A. Bahamon , Christiano J. S. de Matos

Modulating electronic structure of two-dimensional (2D) materials represents an exciting avenue for tailoring their optoelectronic properties. Here, we identify a strain-induced, cooperative effect of intraband and interband excitations…

Mesoscale and Nanoscale Physics · Physics 2020-04-28 Meng-Xue Guan , Chao Lian , Shi-Qi Hu , Hang Liu , Sheng-Jie Zhang , Jin Zhang , Sheng Meng

Atomic monolayers represent a novel class of materials to study localized and free excitons in two dimensions and to engineer optoelectronic devices based on their significant optical response. Here, we investigate the role of the substrate…

Mesoscale and Nanoscale Physics · Physics 2017-07-21 Oliver Iff , Yu-Ming He , Nils Lundt , Sebastian Stoll , Vasilij Baumann , Sven Höfling , Christian Schneider

Second harmonic generation (SHG) is a non-linear optical process, where two photons coherently combine into one photon of twice their energy. Efficient SHG occurs for crystals with broken inversion symmetry, such as transition metal…

Strain engineering is an efficient tool to tune and tailor the electrical and optical properties of 2D materials. The built-in strain can be tuned during the synthesis process of a two dimensional semiconductor, as molybdenum disulfide, by…

Two-dimensional (2D) materials with remarkable second-harmonic generation (SHG) hold promise for future on-chip nonlinear optics. Relevant materials with both giant SHG response and environmental stability are long-sought targets. Here, we…

Two-dimensional materials such as transitional metal dichalcogenides exhibit unique optical and electrical properties. Here we report on the varying optical properties of CVD grown MoS2 monolayer flakes with different shapes. In particular,…

Applied Physics · Physics 2020-03-18 Siwei Luo , Conor P. Cullen , Gencai Guo , Jianxin Zhong , Georg S. Duesberg

We report second- and third-harmonic generation in monolayer MoS$_\mathrm{2}$ as a tool for imaging and accurately characterizing the material's nonlinear optical properties under 1560 nm excitation. Using a surface nonlinear optics…

Monolayer transition metal dichalcogenides (TMDs) exhibit high nonlinear optical (NLO) susceptibilities. Experiments on MoS$_2$ have indeed revealed very large second-order ($\chi^{(2)}$) and third-order ($\chi^{(3)}$) optical…

Second-harmonic generation (SHG) is a second-order nonlinear optical process that is not allowed in media with inversion sym-metry. However, due to the broken symmetry at the surface, surface SHG still occurs, but is generally small. We…

Optical second-harmonic generation (SHG) is a nonlinear parametric process that doubles the frequency of incoming light. Only allowed in non-centrosymmetric materials, it has been widely used in frequency modulation of lasers, surface…

Materials Science · Physics 2021-01-05 Wontaek Kim , Je Yhoung Ahn , Juseung Oh , Ji Hoon Shim , Sunmin Ryu

Crystalline two-dimensional (2D) semiconductors often combine high elasticity and in-plane strength, making them ideal for strain-induced tuning of electronic characteristics, akin to strategies used in silicon electronics. However,…

We have studied on optical second harmonic generations (SHGs) from atomically thin MoTe2 flakes with 2H and 1T' phases. From 2H-MoTe2 samples with odd (even) numbers of layers, strong (negligible) SHGs are observed due to the…

Optics · Physics 2018-05-25 Yu Song , Ruijuan Tian , Jiulong Yang , Rui Yin , Jianlin Zhao , Xuetao Gan

The optical properties of two-dimensional materials can be effectively tuned by strain induced from a deformable substrate. In the present work we combine first-principles calculations based on density functional theory and the effective…

Since de discovery of graphene, the family of 2-dimensional materials has attracted much recent attention. In this work, the nonlinear optical properties of few-layer MoS2 two-dimensional crystals are studied using femtosecond laser pulses.…

Mesoscale and Nanoscale Physics · Physics 2013-06-20 Leandro M. Malard , Thonimar V. Alencar , Ana Paula M. Barboza , Kin Fai Mak , Ana M. de Paula

Monolayer WSe$_2$ (ML WSe$_2$) exhibits a high second-harmonic generation (SHG) efficiency under single 1-photon (1-p) or 2-photon (2-p) resonant excitation conditions due to enhanced second-order susceptibility compared with off-resonance…

Optics · Physics 2025-06-24 Zhizi Guan , Yunkun Xu , Junwen Li , Zhiwei Peng , Dangyuan Lei , David J. Srolovitz

Strain engineering in single-layer semiconducting transition metal dichalcogenides aims to tune their bandgap energy and to modify their optoelectronic properties by the application of external strain. In this paper we study transition…

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…

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