scholarly journals Two dimensional ruthenium carbide: structural and electronic features

2020 ◽  
Vol 22 (27) ◽  
pp. 15488-15495
Author(s):  
T. Gorkan ◽  
S. Demirci ◽  
S. Jahangirov ◽  
G. Gökoğlu ◽  
E. Aktürk
Keyword(s):  
Electronic Properties ◽  
Two Dimensional ◽  
Wide Range ◽  
Structural Analogues

Honeycomb monolayer structure of RuC and its structural analogues with Li coverage display peculiar electronic properties which promise wide range of applications.

scholarly journals Prediction of the structural and electronic properties of MoxTi1−xS2 monolayers via first principle simulations

2020 ◽  
Vol 10 ◽  
pp. 184798042095509
Author(s):  
Ankit Kumar Verma ◽  
Federico Raffone ◽  
Giancarlo Cicero
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
Transition Metal Dichalcogenides ◽  
Stable Phase ◽  
Two Dimensional ◽  
Electron Hole ◽  
Effective Electron ◽  
Wide Range ◽  
Structural And Electronic Properties ◽  
Metal Dichalcogenides

Two-dimensional transition metal dichalcogenides have gained great attention because of their peculiar physical properties that make them interesting for a wide range of applications. Lately, alloying between different transition metal dichalcogenides has been proposed as an approach to control two-dimensional phase stability and to obtain compounds with tailored characteristics. In this theoretical study, we predict the phase diagram and the electronic properties of Mo xTi1− xS2 at varying stoichiometry and show how the material is metallic, when titanium is the predominant species, while it behaves as a p-doped semiconductor, when approaching pure MoS2 composition. Correspondingly, the thermodynamically most stable phase switches from the tetragonal to the hexagonal one. Further, we present an example which shows how the proposed alloys can be used to obtain new vertical two-dimensional heterostructures achieving effective electron/hole separation.

scholarly journals A First-Principles Study of Nonlinear Elastic Behavior and Anisotropic Electronic Properties of Two-Dimensional HfS2

Nanomaterials ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 446
Author(s):  
Mahdi Faghihnasiri ◽  
Aidin Ahmadi ◽  
Samaneh Alvankar Golpayegan ◽  
Saeideh Garosi Sharifabadi ◽  
Ali Ramazani
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Electronic Band Structure ◽  
Hexagonal Phase ◽  
Strain Engineering ◽  
Elastic Behavior ◽  
Potential Candidate ◽  
Two Dimensional ◽  
Electronic Band ◽  
Wide Range

We utilize first principles calculations to investigate the mechanical properties and strain-dependent electronic band structure of the hexagonal phase of two dimensional (2D) HfS2. We apply three different deformation modes within −10% to 30% range of two uniaxial (D1, D2) and one biaxial (D3) strains along x, y, and x-y directions, respectively. The harmonic regions are identified in each deformation mode. The ultimate stress for D1, D2, and D3 deformations is obtained as 0.037, 0.038 and 0.044 (eV/Ang3), respectively. Additionally, the ultimate strain for D1, D2, and D3 deformation is obtained as 17.2, 17.51, and 21.17 (eV/Ang3), respectively. In the next step, we determine the second-, third-, and fourth-order elastic constants and the electronic properties of both unstrained and strained HfS2 monolayers are investigated. Our findings reveal that the unstrained HfS2 monolayer is a semiconductor with an indirect bandgap of 1.12 eV. We then tune the bandgap of HfS2 with strain engineering. Our findings reveal how to tune and control the electronic properties of HfS2 monolayer with strain engineering, and make it a potential candidate for a wide range of applications including photovoltaics, electronics and optoelectronics.

scholarly journals Structural, magnetic and electronic properties of two dimensional NdN: an ab initio study

RSC Advances ◽  
2019 ◽  
Vol 9 (61) ◽  
pp. 35917-35923
Author(s):  
S. Assa Aravindh ◽  
Iman S. Roqan
Keyword(s):  
Magnetic Properties ◽  
Rare Earth ◽  
Ab Initio ◽  
Electronic Properties ◽  
Two Dimensional ◽  
Ab Initio Study ◽  
Rare Earth Nitrides ◽  
Wide Range

We found that the peculiar magnetic properties of rare earth nitrides (RENs), mainly NdN films, make them suitable for a wide range of applications.

Electronic properties of quasi two-dimensional transition metals chalcogenides with low-dimensional magnetism

Doklady BGUIR ◽  
2020 ◽  
Vol 18 (7) ◽  
pp. 87-95
Author(s):  
M. S. Baranava ◽  
P. A. Praskurava
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Exchange Interaction ◽  
Electronic Properties ◽  
Metal Atom ◽  
Transition Metal Atom ◽  
Two Dimensional ◽  
Transition Metal Atoms ◽  
Ground Magnetic ◽  
Low Dimensional

The search for fundamental physical laws which lead to stable high-temperature ferromagnetism is an urgent task. In addition to the already synthesized two-dimensional materials, there remains a wide list of possible structures, the stability of which is predicted theoretically. The article suggests the results of studying the electronic properties of MAX3 (M = Cr, Fe, A = Ge, Si, X = S, Se, Te) transition metals based compounds with nanostructured magnetism. The research was carried out using quantum mechanical simulation in specialized VASP software and calculations within the Heisenberg model. The ground magnetic states of twodimensional MAX3 and the corresponding energy band structures are determined. We found that among the systems under study, CrGeTe3 is a semiconductor nanosized ferromagnet. In addition, one is a semiconductor with a bandgap of 0.35 eV. Other materials are antiferromagnetic. The magnetic moment in MAX3 is localized on the transition metal atoms: in particular, the main one on the d-orbital of the transition metal atom (and only a small part on the p-orbital of the chalcogen). For CrGeTe3, the exchange interaction integral is calculated. The mechanisms of the formation of magnetic order was established. According to the obtained exchange interaction integrals, a strong ferromagnetic order is formed in the semiconductor plane. The distribution of the projection density of electronic states indicates hybridization between the d-orbital of the transition metal atom and the p-orbital of the chalcogen. The study revealed that the exchange interaction by the mechanism of superexchange is more probabilistic.

Aromatic Volatile Composition of Celery and Celeriac Cultivars

HortScience ◽  
1990 ◽  
Vol 25 (5) ◽  
pp. 556-559 ◽  
Author(s):  
Fredy Van Wassenhove ◽  
Patrick Dirinck ◽  
Georges Vulsteke ◽  
Niceas Schamp
Keyword(s):  
Volatile Compounds ◽  
Chromatographic Method ◽  
Apium Graveolens ◽  
Volatile Components ◽  
Two Dimensional ◽  
Qualitative Composition ◽  
Volatile Composition ◽  
Wide Range ◽  
Gas Chromatographic Method ◽  
Identification And Quantification

A two-dimensional capillary gas chromatographic method was developed to separate and quantify aromatic volatiles of celery in one analysis. The isolation, identification, and quantification of the volatile compounds of four cultivars of blanching celery (Apium graveolens L. var. dulce) and six cultivars of celeriac (Apium graveolens L. var. rapaceum) are described. The qualitative composition of Likens-Nickerson extracts of both cultivars is similar. The concentration of terpenes and phthalides, the key volatile components, found in various cultivars of both celery and celeriac varied over a wide range.

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study

scholarly journals Structural, elastic, and electronic properties of chemically functionalized boron phosphide monolayer

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8552-8558
Author(s):  
Tuan V. Vu ◽  
A. I. Kartamyshev ◽  
Nguyen V. Hieu ◽  
Tran D. H. Dang ◽  
Sy-Ngoc Nguyen ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Surface Functionalization ◽  
Two Dimensional ◽  
Boron Phosphide

Surface functionalization is one of the useful techniques for modulating the mechanical and electronic properties of two-dimensional systems.

scholarly journals Prediction of Wide Range Two-Dimensional Refractivity Using an IDW Interpolation Method from High-Altitude Refractivity Data of Multiple Meteorological Observatories

2021 ◽  
Vol 11 (4) ◽  
pp. 1431
Author(s):  
Sungsik Wang ◽  
Tae Heung Lim ◽  
Kyoungsoo Oh ◽  
Chulhun Seo ◽  
Hosung Choo
Keyword(s):  
High Altitude ◽  
Korean Peninsula ◽  
Interpolation Method ◽  
Atmospheric Condition ◽  
Propagation Path ◽  
Two Dimensional ◽  
Data Set ◽  
Wide Range ◽  
Atmospheric Data ◽  
Terrain Surface

This article proposes a method for the prediction of wide range two-dimensional refractivity for synthetic aperture radar (SAR) applications, using an inverse distance weighted (IDW) interpolation of high-altitude radio refractivity data from multiple meteorological observatories. The radio refractivity is extracted from an atmospheric data set of twenty meteorological observatories around the Korean Peninsula along a given altitude. Then, from the sparse refractive data, the two-dimensional regional radio refractivity of the entire Korean Peninsula is derived using the IDW interpolation, in consideration of the curvature of the Earth. The refractivities of the four seasons in 2019 are derived at the locations of seven meteorological observatories within the Korean Peninsula, using the refractivity data from the other nineteen observatories. The atmospheric refractivities on 15 February 2019 are then evaluated across the entire Korean Peninsula, using the atmospheric data collected from the twenty meteorological observatories. We found that the proposed IDW interpolation has the lowest average, the lowest average root-mean-square error (RMSE) of ∇M (gradient of M), and more continuous results than other methods. To compare the resulting IDW refractivity interpolation for airborne SAR applications, all the propagation path losses across Pohang and Heuksando are obtained using the standard atmospheric condition of ∇M = 118 and the observation-based interpolated atmospheric conditions on 15 February 2019. On the terrain surface ranging from 90 km to 190 km, the average path losses in the standard and derived conditions are 179.7 dB and 182.1 dB, respectively. Finally, based on the air-to-ground scenario in the SAR application, two-dimensional illuminated field intensities on the terrain surface are illustrated.

scholarly journals Is contact angle a cause or an effect? – A cautionary tale

2020 ◽  
Vol 146 ◽  
pp. 03004
Author(s):  
Douglas Ruth
Keyword(s):  
Contact Angle ◽  
Solid Surface ◽  
Contact Angles ◽  
Two Dimensions ◽  
Experimental Results ◽  
Flow In Porous Media ◽  
Two Dimensional ◽  
Wide Range ◽  
Fluid Drop ◽  
Surrounding Fluid

The most influential parameter on the behavior of two-component flow in porous media is “wettability”. When wettability is being characterized, the most frequently used parameter is the “contact angle”. When a fluid-drop is placed on a solid surface, in the presence of a second, surrounding fluid, the fluid-fluid surface contacts the solid-surface at an angle that is typically measured through the fluid-drop. If this angle is less than 90°, the fluid in the drop is said to “wet” the surface. If this angle is greater than 90°, the surrounding fluid is said to “wet” the surface. This definition is universally accepted and appears to be scientifically justifiable, at least for a static situation where the solid surface is horizontal. Recently, this concept has been extended to characterize wettability in non-static situations using high-resolution, two-dimensional digital images of multi-component systems. Using simple thought experiments and published experimental results, many of them decades old, it will be demonstrated that contact angles are not primary parameters – their values depend on many other parameters. Using these arguments, it will be demonstrated that contact angles are not the cause of wettability behavior but the effect of wettability behavior and other parameters. The result of this is that the contact angle cannot be used as a primary indicator of wettability except in very restricted situations. Furthermore, it will be demonstrated that even for the simple case of a capillary interface in a vertical tube, attempting to use simply a two-dimensional image to determine the contact angle can result in a wide range of measured values. This observation is consistent with some published experimental results. It follows that contact angles measured in two-dimensions cannot be trusted to provide accurate values and these values should not be used to characterize the wettability of the system.

scholarly journals Robust anomalous metallic states and vestiges of self-duality in two-dimensional granular In-InOx composites

2021 ◽  
Vol 6 (1) ◽  
Author(s):  
Xinyang Zhang ◽  
Bar Hen ◽  
Alexander Palevski ◽  
Aharon Kapitulnik
Keyword(s):  
Magnetic Field ◽  
Metallic Phase ◽  
Broadband Noise ◽  
Two Dimensional ◽  
Conventional Theory ◽  
Logarithmic Divergence ◽  
Self Duality ◽  
Low Field ◽  
Wide Range ◽  
Low Temperature Resistance

AbstractMany experiments investigating magnetic-field tuned superconductor-insulator transition (H-SIT) often exhibit low-temperature resistance saturation, which is interpreted as an anomalous metallic phase emerging from a ‘failed superconductor’, thus challenging conventional theory. Here we study a random granular array of indium islands grown on a gateable layer of indium-oxide. By tuning the intergrain couplings, we reveal a wide range of magnetic fields where resistance saturation is observed, under conditions of careful electromagnetic filtering and within a wide range of linear response. Exposure to external broadband noise or microwave radiation is shown to strengthen the tendency of superconductivity, where at low field a global superconducting phase is restored. Increasing magnetic field unveils an ‘avoided H-SIT’ that exhibits granularity-induced logarithmic divergence of the resistance/conductance above/below that transition, pointing to possible vestiges of the original emergent duality observed in a true H-SIT. We conclude that anomalous metallic phase is intimately associated with inherent inhomogeneities, exhibiting robust behavior at attainable temperatures for strongly granular two-dimensional systems.

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