scholarly journals Was Pauling Mistaken about Metals?

Molecules ◽  
2021 ◽  
Vol 26 (7) ◽  
pp. 1930
Author(s):  
Andreas Savin
Keyword(s):  
Band Gap ◽  
Electron Pair ◽  
Significant Loss ◽  
Band Gaps ◽  
Maximum Probability ◽  
Electron Pairs ◽  
Probability Domain

Pauling described metallic bonds using resonance. The maximum probability domains in the Kronig–Penney model can show a picture of it. When the walls are opaque (and the band gap is large) the maximum probability domain for an electron pair essentially corresponds to the region between the walls: the electron pairs are localized within two consecutive walls. However, when the walls become transparent (and the band gaps closes), the maximum probability domain can be moved through the system without a significant loss in probability.

scholarly journals The Band-Gap Studies of Short-Period CdO/MgO Superlattices

2021 ◽  
Vol 16 (1) ◽  
Author(s):  
Ewa Przeździecka ◽  
P. Strąk ◽  
A. Wierzbicka ◽  
A. Adhikari ◽  
A. Lysak ◽  
...  
Keyword(s):  
Band Gap ◽  
Layer Thickness ◽  
Energy Gap ◽  
Band Gaps ◽  
Short Period ◽  
Wide Range ◽  
Salt Structure ◽  
Short Period Superlattices ◽  
Direct Band ◽  
Sublayer Thickness

AbstractTrends in the behavior of band gaps in short-period superlattices (SLs) composed of CdO and MgO layers were analyzed experimentally and theoretically for several thicknesses of CdO sublayers. The optical properties of the SLs were investigated by means of transmittance measurements at room temperature in the wavelength range 200–700 nm. The direct band gap of {CdO/MgO} SLs were tuned from 2.6 to 6 eV by varying the thickness of CdO from 1 to 12 monolayers while maintaining the same MgO layer thickness of 4 monolayers. Obtained values of direct and indirect band gaps are higher than those theoretically calculated by an ab initio method, but follow the same trend. X-ray measurements confirmed the presence of a rock salt structure in the SLs. Two oriented structures (111 and 100) grown on c- and r-oriented sapphire substrates were obtained. The measured lattice parameters increase with CdO layer thickness, and the experimental data are in agreement with the calculated results. This new kind of SL structure may be suitable for use in visible, UV and deep UV optoelectronics, especially because the energy gap can be precisely controlled over a wide range by modulating the sublayer thickness in the superlattices.

Effect of Double Defects on Transmission Spectra of One-Dimensional Photonic Crystals

2010 ◽  
Vol 663-665 ◽  
pp. 725-728 ◽  
Author(s):  
Yuan Ming Huang ◽  
Qing Lan Ma ◽  
Bao Gai Zhai ◽  
Yun Gao Cai
Keyword(s):  
Photonic Crystals ◽  
Band Gap ◽  
Theoretical Calculations ◽  
Stop Band ◽  
Band Gaps ◽  
Characteristic Matrix ◽  
Frequency Range ◽  
Defect Band ◽  
One Dimensional ◽  
The One

Considered the model of the one-dimensional photonic crystals (1-D PCs) with double defects, the refractive indexes (n2’, n3’ and n2’’, n3’’) of the double defects were 2.0, 4.0 and 4.0, 2.0 respectively. With parameter n2=1.5, n3=2.5, by theoretical calculations with characteristic matrix method, the results shown that for a certain number (14 was taken) of layers of the 1-D PCs, when the double defects abutted, there was a defect band gap in the stop band gap, while when the double defects separated, there occurred two defect band gaps in the stop band gap; besides, with the separation of the two defects, the transmittance of the double defect band gaps decreased gradually. In addition, in this progress, the frequency range of the stop band gap has a little increase from 0.092 to 0.095.

scholarly journals Energy Gaps in BN/GNRs Planar Heterostructure

Materials ◽  
2021 ◽  
Vol 14 (17) ◽  
pp. 5079
Author(s):  
Jinyue Guan ◽  
Lei Xu
Keyword(s):  
Phase Transition ◽  
Boron Nitride ◽  
Band Gap ◽  
Lattice Mismatch ◽  
Tight Binding ◽  
Graphene Nanoribbon ◽  
Band Gaps ◽  
Energy Gaps ◽  
Local Potentials

Using the tight-binding approach, we study the band gaps of boron nitride (BN)/ graphene nanoribbon (GNR) planar heterostructures, with GNRs embedded in a BN sheet. The width of BN has little effect on the band gap of a heterostructure. The band gap oscillates and decreases from 2.44 eV to 0.26 eV, as the width of armchair GNRs, nA, increases from 1 to 20, while the band gap gradually decreases from 3.13 eV to 0.09 eV, as the width of zigzag GNRs, nZ, increases from 1 to 80. For the planar heterojunctions with either armchair-shaped or zigzag-shaped edges, the band gaps can be manipulated by local potentials, leading to a phase transition from semiconductor to metal. In addition, the influence of lattice mismatch on the band gap is also investigated.

Non-Dirac Chern insulators with large band gaps and spin-polarized edge states

Nanoscale ◽  
2018 ◽  
Vol 10 (18) ◽  
pp. 8569-8577 ◽  
Author(s):  
Y. Xue ◽  
J. Y. Zhang ◽  
B. Zhao ◽  
X. Y. Wei ◽  
Z. Q. Yang
Keyword(s):  
Band Gap ◽  
Band Gaps ◽  
Edge States ◽  
Half Metallic ◽  
Spin Polarized ◽  
Chern Insulators

A non-Dirac Chern insulator with a large band gap (244 meV) and half-metallic edge states was realized in a PbC/MnSe heterostructure.

Wave propagation in acoustic metamaterials with resonantly shunted cross-shape piezos

2018 ◽  
Vol 29 (13) ◽  
pp. 2744-2753 ◽  
Author(s):  
Shengbing Chen
Keyword(s):  
Wave Propagation ◽  
Band Gap ◽  
Vibration Isolation ◽  
Band Gaps ◽  
Acoustic Metamaterials ◽  
Resonant Frequencies ◽  
Piezoelectric Patch ◽  
Transmission Properties ◽  
Gap Width ◽  
Band Gap Width

Cross-shape piezoelectric patches were originally proposed to improve the band-gap properties of acoustic metamaterials with shunting circuits. The dispersion curves are characterized through the application of finite element method. Also, the theoretical band-gap predictions are verified by simulation results obtained from COMSOL. The investigation results show that the proposed scheme distinguishes itself from the conventional square patches by broader band gaps, whose bandwidth is almost doubled. The inherent capacitance of the piezoelectric patch is strongly related to the boundary conditions, so the local resonant band gap is strongly affected by the shape of piezoelectric patches as well. As a result, the band-gap width and location of metamaterials with different shape patches are rather different, even with the same size patches. Also, negative modulus (NM) and Poisson’s ratio were observed around the resonant frequencies. The transmission properties of finite periods agree well with band-gap predictions. An obvious attenuation zone (AZ) is produced around the band-gap location, in which the wave propagation is decayed strongly. Similarly, the width of AZ of the proposed metamaterial is much larger than that of the conventional one. Hence, the proposed scheme demonstrates more advantages in the application to vibration isolation when compared with the conventional.

scholarly journals Creating the Coupled Band Gaps in Piezoelectric Composite Plates by Interconnected Electric Impedance

Materials ◽  
2018 ◽  
Vol 11 (9) ◽  
pp. 1656 ◽  
Author(s):  
Lin Li ◽  
Zhou Jiang ◽  
Yu Fan ◽  
Jun Li
Keyword(s):  
Band Gap ◽  
Piezoelectric Materials ◽  
Composite Plates ◽  
Forced Response ◽  
Band Gaps ◽  
Piezoelectric Composite ◽  
Flexural Wave ◽  
Response Analysis ◽  
Flexural Waves ◽  
Single Wave

In this paper, we investigate the coupled band gaps created by the locking phenomenon between the electric and flexural waves in piezoelectric composite plates. To do that, the distributed piezoelectric materials should be interconnected via a ‘global’ electric network rather than the respective ‘local’ impedance. Once the uncoupled electric wave has the same wavelength and opposite group velocity as the uncoupled flexural wave, the desired coupled band gap emerges. The Wave Finite Element Method (WFEM) is used to investigate the evolution of the coupled band gap with respect to propagation direction and electric parameters. Further, the bandwidth and directionality of the coupled band gap are compared with the LR and Bragg gaps. An indicator termed ratio of single wave (RSW) is proposed to determine the effective band gap for a given deformation (electric, flexural, etc.). The features of the coupled band gap are validated by a forced response analysis. We show that the coupled band gap, despite directional, can be much wider than the LR gap with the same overall inductance. This might lead to an alternative to adaptively create band gaps.

Studies on bond and atomic valences. I. correlation between bond valence and bond angles in SbIII chalcogen compounds: the influence of lone-electron pairs

1996 ◽  
Vol 52 (1) ◽  
pp. 7-15 ◽  
Author(s):  
X. Wang ◽  
F. Liebau
Keyword(s):  
Statistical Analysis ◽  
Valence State ◽  
Lone Electron Pair ◽  
Electron Pair ◽  
Bond Valence ◽  
Continuous Change ◽  
Oxidation Number ◽  
Electron Pairs ◽  
Atomic Valence ◽  
Bond Valence Parameter

In the present bond-valence concept the bond-valence parameter ro is treated as constant for a given pair of atoms, and it is assumed that the bond valence sij is a function of the corresponding bond length Dij , and that the atomic valence is an integer equal to the formal oxidation number for Vi derived from stoichiometry. However, from a statistical analysis of 76 [SbIIIS n ] and 14 [SbIIISe n ] polyhedra in experimentally determined structures, it is shown that for SbIII—X bonds (X = S, Se), ro is correlated with {\bar \alpha} i , the average of the X—Sb—X angles between the three shortest Sb—X bonds. This is interpreted as a consequence of a progressive retraction of the 5s lone-electron pair from the SbIII nucleus, which can be considered as continuous change of the actual atomic valence act Vi of Sb from +3 towards +5. A procedure is derived to calculate an effective atomic valence eff Vi of SbIII from the geometry, {\bar \alpha} i and Dij , of the [SbIII Xn ] polyhedra, which approximates act Vi and is a better description of the actual valence state of SbIII than the formal valence for Vi . Calculated eff V SbIII are found to vary between +2.88 and +3.80 v.u. for [SbIIIS n ] and between +2.98 and +3.88 v.u. for [SbIIISe n ] polyhedra. It is suggested that a corresponding modification of the present bond-valence concept is also required for other cations with lone-electron pairs.

Band Gap Control in an Active Elastic Metamaterial With Negative Capacitance Piezoelectric Shunting

2014 ◽  
Vol 136 (6) ◽  
Author(s):  
Y. Y. Chen ◽  
G. L. Huang ◽  
C. T. Sun
Keyword(s):  
Band Gap ◽  
Elastic Waves ◽  
Low Frequency ◽  
Lattice System ◽  
Band Gaps ◽  
Negative Capacitance ◽  
Bending Waves ◽  
Stiffness Constant ◽  
Elastic Metamaterials ◽  
Gap Control

Elastic metamaterials have been extensively investigated due to their significant effects on controlling propagation of elastic waves. One of the most interesting properties is the generation of band gaps, in which subwavelength elastic waves cannot propagate through. In the study, a new class of active elastic metamaterials with negative capacitance piezoelectric shunting is presented. We first investigated dispersion curves and band gap control of an active mass-in-mass lattice system. The unit cell of the mass-in-mass lattice system consists of the inner masses connected by active linear springs to represent negative capacitance piezoelectric shunting. It was demonstrated that the band gaps can be actively controlled and tuned by varying effective stiffness constant of the linear spring through appropriately selecting the value of negative capacitance. The promising application was then demonstrated in the active elastic metamaterial plate integrated with the negative capacitance shunted piezoelectric patches for band gap control of both the longitudinal and bending waves. It can be found that the location and the extent of the induced band gap of the elastic metamaterial can be effectively tuned by using shunted piezoelectric patch with different values of negative capacitance, especially for extremely low-frequency cases.

Band Gap Formation in Composite Models With Quasi-Random Fiber Arrangements

2005 ◽  
Author(s):  
Shashidhar Patil ◽  
Liang-Wu Cai
Keyword(s):  
Band Gap ◽  
Large Scale ◽  
Composite Plates ◽  
Two Dimensions ◽  
Band Gaps ◽  
Gap Formation ◽  
Statistical Parameters ◽  
Composite Models ◽  
Gap Characteristics ◽  
Primary Band

Large-scale deterministic simulations are performed in order to observe the band gap formation in composite models having quasi-random fiber arrangements. Composite plates are modeled in two-dimensions with various unidirectional fiber arrangements. The quasi-random fiber arrangements can be qualified as essentially regular with slight randomness. Simulation results are compared with the corresponding case of ideally regular fiber arrangement. The most interesting observation is that the slight randomness in the fiber arrangements enhances the band gap phenomenon by introducing a few secondary band gaps adjacent to the primary band gap. An attempt is made to relate the band gap characteristics to the statistical parameters of fiber arrangements.

scholarly journals Phoamtonic designs yield sizeable 3D photonic band gaps

2019 ◽  
Vol 116 (47) ◽  
pp. 23480-23486 ◽  
Author(s):  
Michael A. Klatt ◽  
Paul J. Steinhardt ◽  
Salvatore Torquato
Keyword(s):  
Band Gap ◽  
Volume Fraction ◽  
Photonic Band Gap ◽  
Three Dimensional ◽  
Band Gaps ◽  
Photonic Band Gaps ◽  
Photonic Networks ◽  
Photonic Waveguides ◽  
High Degree ◽  
Photonic Band

We show that it is possible to construct foam-based heterostructures with complete photonic band gaps. Three-dimensional foams are promising candidates for the self-organization of large photonic networks with combinations of physical characteristics that may be useful for applications. The largest band gap found is based on 3D Weaire–Phelan foam, a structure that was originally introduced as a solution to the Kelvin problem of finding the 3D tessellation composed of equal-volume cells that has the least surface area. The photonic band gap has a maximal size of 16.9% (at a volume fraction of 21.6% for a dielectric contrast ε=13) and a high degree of isotropy, properties that are advantageous in designing photonic waveguides and circuits. We also present results for 2 other foam-based heterostructures based on Kelvin and C15 foams that have somewhat smaller but still significant band gaps.

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