Effect of symmetry on electronic DOS, peierls transition and elastic modulus of carbon nanowires Effect of symmetry on electronic DOS, peierls transition and elastic modulus of carbon nanowires
1Institute of Physics and Technology, Ural Federal University, Ekaterinburg, 620002, Russia
2Department of Applied Physics, The Hong Kong Polytechnic University, Hong Kong, China
3Faculty of Physics, Moscow State University, Moscow, 119991 Russia
Adv. Mater. Lett., 2017, 8 (12), pp 1161-1165
DOI: 10.5185/amlett.2017.1578
Publication Date (Web): Sep 08, 2017
Copyright © IAAM-VBRI Press
E-mail: a.f.zatsepin@urfu.ru
A Monte Carlo arithmetic method is utilized to investigate the Peierls transition in the linear and circular carbon nanowire respectively. The carbon nanowires interacting with the 6 nearest neighbors in hexagonal structure are spaced by 0.3 nm. Despite the Peierls transition of the linear carbon nanowires is unaffected by the Van der Waal’s force, we discovered that the Peierls transition temperature of the isolated curved nanowire is raised to 910K under curvature. Based on the simulation results, the fluctuation of the atomic position of the atoms are stronger near to the free end boundary condition. Applying stress on the interstitial doped carbon nanowire array examines the elastic modulus which shows above 6TPa. The geometrical effect on the electronic density of states of the kink structural carbon chain is simulated by Harris functional in combination with Local Density Approximation. Two different lengths of branches A and B, are occupied alternatively to generate the asymmetric carbon chain. The ratio of the asymmetric branch length, RAB = A / B, plays an important role in the electronic density of states DOS around Fermi level . The highest DOS(EF) occurs if the RAB equals to 2 and while the Fermi level coincides with the Von-Hove singularity at RAB = 3.
Advanced Materials Research and Innovation Priorities for Accomplishing the Sustainable Development Goals
Contemporary Advances in Humidity Sensing Materials, Methods, and Performances
Roles of the Debye Length and Skin Depth in the Characterization of Space Charge Interactions in Semiconductor Nanoparticles
Antifungal Activity of Iron-gold and Cobalt-gold co-doped ZnO Nanoparticles
Adsorption and Thermodynamic Parameters of Activated Carbon-Diazepam Systems in Simulated Gastric Fluid
Synthesis, Impedance and Current-Voltage Spectroscopic Characterization of Novel Gadolinium Titanate Nano Structures
Removal of Toxic Dyes from Industrial Waste Water using Chitosan Grafted Itaconic Acid Nanocomposites
Structural, Optical and dielectric properties of Sr doped LaVO4
Design, 3D Development and Finite Element Analysis of Cylindrical Mesh Cage Bioimplants from Biometals
Advancements in Materials Technology for Accomplishing Sustainable Development Goals
A Review for Luminescence Property of Materials, Its Detection and Probabilities for Embedding of Luminescence with MEMS Technology
A Review on Low-Cost Adsorbents for Cadmium Pollutant Removal from Industrial Effluents
Study of Applications of Radial Basis Function Network in Forecasting
Simulation of LPG Pressure Vessel under Fire Engulfment
Strength Analysis of Friction Stir Welding (FSW) Joint Under Minimize Rotation Speed of FSW Tool
Formation of Pure In2O3 pallets for OLED Application
Study of Soil Nitrogen Level and Splitting on Nutrient Uptake around the Industries of Chhattisgarh, India