Broadband Optical Constants and Nonlinear Properties of SnS2 and SnSe2

SnS2 and SnSe2 have recently been shown to have a wide range of applications in photonic and optoelectronic devices. However, because of incomplete knowledge about their optical characteristics, the use of SnS2 and SnSe2 in optical engineering remains challenging. Here, we addressed this problem by establishing SnS2 and SnSe2 linear and nonlinear optical properties in the broad (300–3300 nm) spectral range. Coupled with the first-principle calculations, our experimental study unveiled the full dielectric tensor of SnS2 and SnSe2. Furthermore, we established that SnS2 is a promising material for visible high refractive index nanophotonics. Meanwhile, SnSe2 demonstrates a stronger nonlinear response compared with SnS2. Our results create a solid ground for current and next-generation SnS2- and SnSe2-based devices.

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Broadband Optical Properties of Atomically Thin PtS2 and PtSe2

Nanomaterials ◽

10.3390/nano11123269 ◽

2021 ◽

Vol 11 (12) ◽

pp. 3269

Author(s):

Georgy A. Ermolaev ◽

Kirill V. Voronin ◽

Mikhail K. Tatmyshevskiy ◽

Arslan B. Mazitov ◽

Aleksandr S. Slavich ◽

...

Keyword(s):

Optical Properties ◽

Optical Constants ◽

Transition Metal Dichalcogenides ◽

Optoelectronic Device ◽

High Refractive Index ◽

Broadband Absorption ◽

Wide Range ◽

Out Of Plane ◽

Metal Dichalcogenides ◽

Infrared Wavelengths

Noble transition metal dichalcogenides (TMDCs) such as PtS2 and PtSe2 show significant potential in a wide range of optoelectronic and photonic applications. Noble TMDCs, unlike standard TMDCs such as MoS2 and WS2, operate in the ultrawide spectral range from ultraviolet to mid-infrared wavelengths; however, their properties remain largely unexplored. Here, we measured the broadband (245–3300 nm) optical constants of ultrathin PtS2 and PtSe2 films to eliminate this gap and provide a foundation for optoelectronic device simulation. We discovered their broadband absorption and high refractive index both theoretically and experimentally. Based on first-principle calculations, we also predicted their giant out-of-plane optical anisotropy for monocrystals. As a practical illustration of the obtained optical properties, we demonstrated surface plasmon resonance biosensors with PtS2 or PtSe2 functional layers, which dramatically improves sensor sensitivity by 60 and 30%, respectively.

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Study of the linear and nonlinear response properties of the zinc-blende AlP, GaP and their AlxGa1-xP ternary alloys using first principle calculations

Computational Condensed Matter ◽

10.1016/j.cocom.2019.e00410 ◽

2019 ◽

Vol 21 ◽

pp. e00410 ◽

Cited By ~ 2

Author(s):

Y. Asadi ◽

Z. Nourbakhsh

Keyword(s):

Nonlinear Response ◽

Ternary Alloys ◽

First Principle ◽

Response Properties ◽

First Principle Calculations ◽

Zinc Blende ◽

Linear And Nonlinear

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High-temperature oxidation behavior of CVD-SiC ceramic coating in wet oxygen and structural evolution of oxidation product: Experiment and first-principle calculations

Applied Surface Science ◽

10.1016/j.apsusc.2021.149808 ◽

2021 ◽

Vol 556 ◽

pp. 149808

Author(s):

Pengfei Zhang ◽

Yulei Zhang ◽

Guohui Chen ◽

Wenhan Gai ◽

Jingan Kong

Keyword(s):

High Temperature ◽

High Temperature Oxidation ◽

Oxidation Behavior ◽

Ceramic Coating ◽

Structural Evolution ◽

First Principle ◽

Temperature Oxidation ◽

First Principle Calculations ◽

Sic Ceramic ◽

High Temperature Oxidation Behavior

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Retraction notice to “Study of dielectric and optical constants of Benzobis(thiazole)-based copolymer thin films for designing optoelectronic devices”[Physica B 570 (2019) 6–12]

Physica B Condensed Matter ◽

10.1016/j.physb.2021.413053 ◽

2021 ◽

pp. 413053

Author(s):

L. Castañeda

Keyword(s):

Thin Films ◽

Optical Constants ◽

Optoelectronic Devices ◽

Retraction Notice

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A First-Principle Study of Monolayer Transition Metal Carbon Trichalcogenides

Journal of Superconductivity and Novel Magnetism ◽

10.1007/s10948-021-05980-1 ◽

2021 ◽

Author(s):

Muhammad Yar Khan ◽

Yan Liu ◽

Tao Wang ◽

Hu Long ◽

Miaogen Chen ◽

...

Keyword(s):

Phonon Dispersion ◽

Magnetic Ordering ◽

Dimensional Structure ◽

First Principle ◽

Two Dimensional ◽

Biaxial Strain ◽

Half Metallic ◽

First Principle Calculations ◽

Potential Applications ◽

External Strain

AbstractMonolayer MnCX3 metal–carbon trichalcogenides have been investigated by using the first-principle calculations. The compounds show half-metallic ferromagnetic characters. Our results reveal that their electronic and magnetic properties can be altered by applying uniaxial or biaxial strain. By tuning the strength of the external strain, the electronic bandgap and magnetic ordering of the compounds change and result in a phase transition from the half-metallic to the semiconducting phase. Furthermore, the vibrational and thermodynamic stability of the two-dimensional structure has been verified by calculating the phonon dispersion and molecular dynamics. Our study paves guidance for the potential applications of these two mono-layers in the future for spintronics and straintronics devices.

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Monolayer 1T and 1T′ MoSO as Promising Electrocatalyst for Hydrogen Evolution based on First Principle Calculations

ChemPhysChem ◽

10.1002/cphc.202100038 ◽

2021 ◽

Author(s):

Feifei Li ◽

Ziping Niu ◽

Lixin Zhang

Keyword(s):

Hydrogen Evolution ◽

First Principle ◽

First Principle Calculations

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Quantitative Evaluations of Hydrogen Diffusivity in V-X (X = Cr, Al, Pd) Alloy Membranes Based on Hydrogen Chemical Potential

Membranes ◽

10.3390/membranes11010067 ◽

2021 ◽

Vol 11 (1) ◽

pp. 67

Author(s):

Asuka Suzuki ◽

Hiroshi Yukawa

Keyword(s):

Nearest Neighbor ◽

Chemical Potential ◽

Hydrogen Permeability ◽

First Principle ◽

Hydrogen Diffusivity ◽

Hydrogen Atoms ◽

First Principle Calculations ◽

Blocking Effects ◽

Pd Alloy ◽

Quantitative Evaluations

Vanadium (V) has higher hydrogen permeability than Pd-based alloy membranes but exhibits poor resistance to hydrogen-induced embrittlement. The alloy elements are added to reduce hydrogen solubility and prevent hydrogen-induced embrittlement. To enhance hydrogen permeability, the alloy elements which improve hydrogen diffusivity in V are more suitable. In the present study, hydrogen diffusivity in V-Cr, V-Al, and V-Pd alloy membranes was investigated in view of the hydrogen chemical potential and compared with the previously reported results of V-Fe alloy membranes. The additions of Cr and Fe to V improved the mobility of hydrogen atoms. In contrast, those of Al and Pd decreased hydrogen diffusivity. The first principle calculations revealed that the hydrogen atoms cannot occupy the first-nearest neighbor T sites (T1 sites) of Al and Pd in the V crystal lattice. These blocking effects will be a dominant contributor to decreasing hydrogen diffusivity by the additions of Al and Pd. For V-based alloy membranes, Fe and Cr are more suitable alloy elements compared with Al and Pd in view of hydrogen diffusivity.

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Growth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations

Scientific Reports ◽

10.1038/s41598-020-78598-3 ◽

2020 ◽

Vol 10 (1) ◽

Author(s):

Durga Sankar Vavilapalli ◽

Ambrose A. Melvin ◽

F. Bellarmine ◽

Ramanjaneyulu Mannam ◽

Srihari Velaga ◽

...

Keyword(s):

Single Crystal ◽

Single Crystals ◽

Photoelectron Spectroscopy ◽

Diffraction Method ◽

Lattice Parameter ◽

First Principle ◽

X Ray Diffraction ◽

X Ray ◽

First Principle Calculations ◽

Photodegradation Efficiency

AbstractIdeal sillenite type Bi12FeO20 (BFO) micron sized single crystals have been successfully grown via inexpensive hydrothermal method. The refined single crystal X-ray diffraction data reveals cubic Bi12FeO20 structure with single crystal parameters. Occurrence of rare Fe4+ state is identified via X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). The lattice parameter (a) and corresponding molar volume (Vm) of Bi12FeO20 have been measured in the temperature range of 30–700 °C by the X-ray diffraction method. The thermal expansion coefficient (α) 3.93 × 10–5 K−1 was calculated from the measured values of the parameters. Electronic structure and density of states are investigated by first principle calculations. Photoelectrochemical measurements on single crystals with bandgap of 2 eV reveal significant photo response. The photoactivity of as grown crystals were further investigated by degrading organic effluents such as Methylene blue (MB) and Congo red (CR) under natural sunlight. BFO showed photodegradation efficiency about 74.23% and 32.10% for degrading MB and CR respectively. Interesting morphology and microstructure of pointed spearhead like BFO crystals provide a new insight in designing and synthesizing multifunctional single crystals.

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Femtosecond Laser Fabrication of Hybrid Metal-Dielectric Structures with Nonlinear Photoluminescence

Photonics ◽

10.3390/photonics8040121 ◽

2021 ◽

Vol 8 (4) ◽

pp. 121

Author(s):

Ekaterina Ponkratova ◽

Eduard Ageev ◽

Filipp Komissarenko ◽

Sergei Koromyslov ◽

Dmitry Kudryashov ◽

...

Keyword(s):

Visible Spectral Region ◽

Single Step ◽

Hybrid Nanostructures ◽

Nonlinear Properties ◽

Nanophotonic Devices ◽

Sensing Applications ◽

Structure Morphology ◽

Wide Range ◽

Nonlinear Signal ◽

Dielectric Structures

Fabrication of hybrid micro- and nanostructures with a strong nonlinear response is challenging and represents a great interest due to a wide range of photonic applications. Usually, such structures are produced by quite complicated and time-consuming techniques. This work demonstrates laser-induced hybrid metal-dielectric structures with strong nonlinear properties obtained by a single-step fabrication process. We determine the influence of several incident femtosecond pulses on the Au/Si bi-layer film on produced structure morphology. The created hybrid systems represent isolated nanoparticles with a height of 250–500 nm exceeding the total thickness of the Au-Si bi-layer. It is shown that fabricated hybrid nanostructures demonstrate enhancement of the SHG signal (up to two orders of magnitude) compared to the initial planar sample and a broadband photoluminescence signal (more than 200 nm in width) in the visible spectral region. We establish the correlation between nonlinear signal and phase composition provided by Raman scattering measurements. Such laser-induced structures have significant potential in optical sensing applications and can be used as components for different nanophotonic devices.

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