PROPERTIES OF ZnO NANOWIRES AND FUNCTIONAL NANOCOMPOSITES

2008 ◽  
Vol 07 (01) ◽  
pp. 29-35 ◽  
Author(s):  
RYSZARD PYRZ
Keyword(s):  
Cross Section ◽  
Electronic Band Structure ◽  
Zno Nanowires ◽  
Sensors And Actuators ◽  
Electronic Band ◽  
One Dimensional ◽  
Mechanical Coupling ◽  
Deformation State ◽  
Dynamics Simulations ◽  
Controllable Size

One-dimensional structures like nanotubes and nanowires are potential candidates for nanoscale sensors and actuators. Furthermore, the nanoscale cross-section of these elements introduces controllable size effects while the macroscopic length ensures good mechanical coupling to matrix materials and thus reinforcing effects in nanocomposites. Molecular dynamics simulations are employed to study the electronic and mechanical properties of smallest ZnO nanowires. It has been shown that the electronic band structure of nanowires varies with uniaxial strain and this property can be used for sensing deformation state when nanowires are embedded in a polymer matrix.

Optical and Piezoelectric Properties of ZnO Nanowires and Functional Polymer-Based Nanocomposites

2008 ◽  
Vol 32 ◽  
pp. 107-110 ◽  
Author(s):  
Ryszard Pyrz
Keyword(s):  
Carbon Nanotube ◽  
Piezoelectric Properties ◽  
Electronic Band Structure ◽  
Molecular System ◽  
Zno Nanowires ◽  
Electronic Band ◽  
Interfacial Sliding ◽  
Polypropylene Nanocomposites ◽  
Deformation State ◽  
Dynamics Simulations

Molecular dynamics simulations are employed to study electronic and mechanical properties of smallest ZnO nanowires. It has been shown that the electronic band structure of nanowires varies with uniaxial strain and this property can be used for sensing deformation state when nanowires are embedded in a polymer matrix. A new atomic strain concept is formulated that allows calculation of continuum quantities directly within a discrete atomic (molecular) system. Molecular modeling and strain calculations have been performed on ZnO/polypropylene nanocomposites and compared with a carbon nanotube/polypropylene system. The simulation cell of nanocomposite has been subjected to uniaxial tension along an inclusion axis and the analysis has been performed for seven deformation steps with equilibration runs after each step. Both nanoinclusions follow global nanocomposite strain to a certain loading and then both exhibit deformation lag as loading level increases. This is clear evidence that both systems are prone to interfacial sliding. The sliding is more significant with the ZnO nanowire as compared to carbon nanotube, which is also evidenced in weaker interaction of this system.

scholarly journals Comprehensive Study of Cross-Section Dependent Effective Masses for Silicon Based Gate-All-Around Transistors

2019 ◽  
Vol 9 (9) ◽  
pp. 1895 ◽  
Author(s):  
Oves Badami ◽  
Cristina Medina-Bailon ◽  
Salim Berrada ◽  
Hamilton Carrillo-Nunez ◽  
Jaeyhun Lee ◽  
...  
Keyword(s):  
Band Structure ◽  
Cross Section ◽  
Electronic Band Structure ◽  
Strong Dependence ◽  
Simulation Software ◽  
Cross Sectional ◽  
Electronic Band ◽  
Effective Masses ◽  
Simulation Engine ◽  
Silicon Based

The use of bulk effective masses in simulations of the modern-day ultra-scaled transistor is erroneous due to the strong dependence of the band structure on the cross-section dimensions and shape. This has to be accounted for in transport simulations due to the significant impact of the effective masses on quantum confinement effects and mobility. In this article, we present a methodology for the extraction of the electron effective masses, in both confinement and the transport directions, from the simulated electronic band structure of the nanowire channel. This methodology has been implemented in our in-house three-dimensional (3D) simulation engine, NESS (Nano-Electronic Simulation Software). We provide comprehensive data for the effective masses of the silicon-based nanowire transistors (NWTs) with technologically relevant cross-sectional area and transport orientations. We demonstrate the importance of the correct effective masses by showing its impact on mobility and transfer characteristics.

Electronic and Mechanical Coupling in Elastically Bent ZnO Micro/Nanowires

2014 ◽  
Vol 1664 ◽  
Author(s):  
Xuewen Fu ◽  
Zhimin Liao ◽  
Dapeng Yu
Keyword(s):  
Elastic Strain ◽  
Electronic Band Structure ◽  
Coupling Effect ◽  
Low Cost ◽  
Chemical Properties ◽  
Strain Engineering ◽  
Near Band Edge ◽  
Engineering Strain ◽  
Electronic Band ◽  
Mechanical Coupling

ABSTRACTElastic engineering strain has been regarded as a low-cost and continuously variable manner for altering the physical and chemical properties of materials, and it becomes even more important at low-dimensionality because at micro/nanoscale, materials/structures can usually bear exceptionally high elastic strains before failure. The elastic strain effects are therefore greatly magnified in micro/nanoscale structures and should be of great potential in the design of novel functional devices. The purpose of this overview is to present a summary of our recently progress in the energy band engineering of elastically bent ZnO micro/nanowires. First, we present the electronic and mechanical coupling effect in bent ZnO nanowires. Second, we summary the bending strain gradient effect on the near-band-edge (NBE) emission photon energy of bent ZnO micro/nanowires. Third, we show that the strain can induce exciton fine-structure splitting and shift in ZnO microwires. Our recent progresses illustrate that the electronic band structure of ZnO micro/nanowires can be dramatically tuned by elastic strain engineering, and point to potential future applications based on the elastic strain engineering of ZnO micro/nanowires.

scholarly journals First Principles Study on Structural and Electronic Properties of Cubic (Pm3m) And Tetragonal (P4mm) ATiO3 (A=Pb, Sn)

2020 ◽  
Vol 17 (2) ◽  
pp. 149
Author(s):  
Nurakma Natasya Md Jahangir Alam ◽  
Nur Aisyah Ab Malik Marwan ◽  
Mohd Hazrie Samat ◽  
Muhammad Zamir Mohyedin ◽  
Nur Hafiz Hussin ◽  
...  
Keyword(s):  
Cross Section ◽  
First Principles ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Ferroelectric Materials ◽  
Lead Free ◽  
Electronic Band ◽  
Functional Theory ◽  
First Principles Study ◽  
Structural And Electronic Properties

Works are centered on exploring lead-free ferroelectric materials that have a comparable unique ns2 solitary pair electrons with Pb (II), for example, Sn (II) using the first-principles study. All counts were performed dependent on Density Functional Theory (DFT) that has been executed in CASTEP. GGA-PBE displays the most exact qualities for cross-section parameters concerning exploratory qualities for both cubic PbTiO3. In the interim, GGA-PBEsol functional is exact for tetragonal PTO. The electronic band structure and density of states show the presence of hybridizations between anion O 2p and cation Pb 6s/Sn 5s unique solitary pair in tetragonal PTO and SnTO stage.

The electronic band structure of quasi-one-dimensional van der Waals semiconductors: the effective hole mass of ZrS3 compared to TiS3

2020 ◽  
Vol 32 (29) ◽  
pp. 29LT01 ◽  
Author(s):  
Hemian Yi ◽  
Simeon J Gilbert ◽  
Alexey Lipatov ◽  
Alexander Sinitskii ◽  
Jose Avila ◽  
...  
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Van Der Waals ◽  
Electronic Band ◽  
One Dimensional

Prospects for Bismuth Nanowires as Thermoelectrics

1998 ◽  
Vol 545 ◽  
Author(s):  
M. S. Dresselhausa ◽  
Z. Zhang ◽  
X. Sun ◽  
J. Y. Ying ◽  
J. Heremans ◽  
...  
Keyword(s):  
Quantum Confinement ◽  
Electronic Band Structure ◽  
Electron Gas ◽  
Electronic Band ◽  
Nanowire Diameter ◽  
Crystalline Orientation ◽  
One Dimensional ◽  
Quantum Confinement Effects ◽  
High Anisotropy ◽  
Bismuth Nanowires

AbstractThe small effective mass of Bi, high anisotropy of its Fermi surface, and the high aspect ratio (length/diameter) of Bi nanowires make this an excellent system for studying quantum confinement effects of a one-dimensional (ID) electron gas in relation to electrical conductivity, thermoelectric power, and thermal conductivity. A theoretical model based on the basic electronic band structure of bulk Bi is suitably modified to describe 1D bismuth nanowires and is used to predict the dependence of these transport properties on nanowire diameter, temperature and crystalline orientation of the bismuth nanowires. Experiments have been carried out on ultra-fine single crystal Bi nanowires (10–120 nm diameter) with a packing density as high as 7 × 1010 wires/cm2 to test the quantum confinement assumptions of the model and the occurrence of a quantum confinement-induced semimetal-to-semiconductor transition as the wire diameter becomes less than 100 nm. Prospects for the use of bismuth nanowires for thermoelectric applications are discussed.

scholarly journals Unconventional magnetic anisotropy in one-dimensional Rashba system realized by adsorbing Gd atom on zigzag graphene nanoribbons

Nanoscale ◽  
2017 ◽  
Vol 9 (32) ◽  
pp. 11657-11666 ◽  
Author(s):  
Zhenzhen Qin ◽  
Guangzhao Qin ◽  
Bin Shao ◽  
Xu Zuo
Keyword(s):  
Band Structure ◽  
Magnetic Anisotropy ◽  
Electronic Band Structure ◽  
Graphene Nanoribbons ◽  
Spin Splitting ◽  
Rashba Effect ◽  
Electronic Band ◽  
One Dimensional ◽  
Electronic Field ◽  
Zigzag Graphene Nanoribbons

The Rashba effect, a spin splitting in electronic band structure, can be induced to the graphene nanoribbon by the transverse electronic field due to the asymmetric adsorption of Gd atom, which would impact the magnetic anisotropy distribution in k-space.

The electronic band structure of silicon

Physica ◽  
1954 ◽  
Vol 3 (7-12) ◽  
pp. 967-970
Author(s):  
D JENKINS
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band
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