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Recently, atomically thin PdSe$_2$ semiconductors with rare pentagonal Se-Pd-Se monolayers were synthesized and were also found to possess superior properties such as ultrahigh air stability, and high carrier mobility, thus offering a new…

Materials Science · Physics 2021-09-21 Vijay Kumar Gudelli , Guang-Yu Guo

High-power infrared laser systems with broadband tunability are of great importance due to their wide range of applications in spectroscopy and free-space communications. These systems require nonlinear optical (NLO) crystals for wavelength…

Nonlinear optical (NLO) responses of topological materials are under active research in recent years. Yet by far, most studies focused on the bulk properties, whereas the surface effects and the difference between surface and bulk responses…

Optics · Physics 2022-05-17 Haowei Xu , Hua Wang , Ju Li

We performed high-throughput density functional theory calculations of optical matrix elements between band edges across a diverse set of non-magnetic two-dimensional monolayers with direct band gaps. Materials were ranked as potential…

Materials Science · Physics 2025-08-15 A. F. Gómez-Bastidas , Karthik Sriram , A. C. Garcia-Castro , Oleg Rubel

The optical response of two-dimensional (2D) materials has been customarily calculated ab initio using plane waves and without separating the most important orbitals contributions. In the family of transition metal dichalcogenides (TMDC)…

Mesoscale and Nanoscale Physics · Physics 2025-12-30 Angiolo Huamán

It is highly desirable to search for promising two-dimensional (2D) monolayer materials for deep insight of 2D materials and applications. We use first-principles method to investigate tetragonal perovskite oxide monolayers as 2D materials.…

Mesoscale and Nanoscale Physics · Physics 2019-07-08 Xiang-Bo Xiao , Bang-Gui Liu

We perform extensive density functional theory (DFT) calculations to determine the stability and elementary properties of 4249 previously unexplored monolayer crystals. The monolayers comprise the most stable subset (energy within 0.1…

Materials Science · Physics 2024-06-18 Peder Lyngby , Kristian Sommer Thygesen

The field of 2D materials-based nanophotonics has been growing at a rapid pace, triggered by the ability to design nanophotonic systems with in situ control, unprecedented degrees of freedom, and to build material heterostructures from…

The existence of large nonlinear optical coefficients is one of the preconditions for using nonlinear optical materials in nonlinear optical devices. For a crystal, such large coefficients can be achieved by matching photon energies with…

Materials Science · Physics 2018-12-27 J. L. Cheng , J. E. Sipe , S. W. Wu , Chunlei Guo

Nonlinear optical phenomena play important roles in the vast emerging fields of micro- and nano-technology. This paper describes the general characteristics of nonlinear optical materials and systems, with a focus on parametric…

Optics · Physics 2024-10-08 Masud Mansuripur

Natural hyperbolic materials offer a powerful platform for light-matter interactions by supporting highly anisotropic electromagnetic modes without the need for artificial patterning. In this work, we experimentally demonstrate that the…

The marriage between a two-dimensional layered material (2DLM) and a complex transition metal oxide (TMO) results in a variety of physical and chemical phenomena that would not have been achieved in either material alone. Interesting recent…

Materials Science · Physics 2019-05-09 Kyeong Tae Kang , Jeongmin Park , Dongseok Suh , Woo Seok Choi

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…

Raman spectroscopy is frequently used to identify composition, structure and layer thickness of 2D materials. Here, we describe an efficient first-principles workflow for calculating resonant first-order Raman spectra of solids within…

Materials Science · Physics 2020-07-15 A. Taghizadeh , U. Leffers , T. G. Pedersen , K. S. Thygesen

Many components used in signal processing and communication applications, such as power amplifiers and analog-to-digital converters, are nonlinear and have a finite dynamic range. The nonlinearity associated with these devices distorts the…

Information Theory · Computer Science 2014-10-29 Kai Ying , Zhenhua Yu , Robert J. Baxley , G. Tong Zhou

Advanced microscopy and/or spectroscopy tools play indispensable role in nanoscience and nanotechnology research, as it provides rich information about the growth mechanism, chemical compositions, crystallography, and other important…

Two-dimensional (2D) materials combine many fascinating properties that make them more interesting than their three-dimensional counterparts for a variety of applications. For example, 2D materials exhibit stronger electron-phonon and…

The nonlinear optical response of materials to exciting light is enhanced by resonances between the incident laser frequencies and the energy levels of the excited material. Traditionally, in molecular nonlinear spectroscopy one tunes the…

Optics · Physics 2019-01-30 Yael Blechman , Euclides Almeida , Basudeb Sain , Yehiam Prior

Ultra-stable, quasi-monochromatic laser light forms the basis for high-precision interferometric measurements, e.g. for observing gravitational waves and for time keeping with optical clocks. Optical frequency conversion enables access to…

Transition metal dichalcogenides (TMDCs) monolayers, as two-dimensional (2D) direct bandgap semiconductors, hold promise for advanced optoelectronic and photocatalytic devices. Interaction with three-dimensional (3D) metals, like Au,…

Mesoscale and Nanoscale Physics · Physics 2024-04-16 Tao Yang , Stephan Sleziona , Erik Pollmann , Eckart Hasselbrink , Peter Kratzer , Marika Schleberger , R. Kramer Campen , Yujin Tong