Cover Page January-2019-Advanced Materials Letters

Advanced Materials Letters

Volume 10, Issue 1, Pages 74-78, January 2019
About Cover

The cover photo describes the graphical representation of a wearable device. Recently, the interest in wearable devices is rapidly growing with its wide applications in the wide area of disease detection and monitoring, wellness monitoring, implantable electronics, military operations etc.


Electronic scale properties of pristine stanene and tin forms using ab-initio methods 

T Chaitanya Sagar, Viswanath R Chinthapenta*

Micro-Mechanics Laboratory, Department of Mechanical and Aerospace Engineering, Indian Institute of Technology Hyderabad, Hyderabad 502285, India

Adv. Mater. Lett., 2019, 10 (1), pp 74-78

DOI: 10.5185/amlett.2019.2154

Publication Date (Web): Dec 10, 2018

E-mail: viswanath@iith.ac.in

Abstract

In the current study, elastic properties of stanene, a hexagonal honeycomb allotrope of tin is investigated using tools in computational material science. The simulations are performed using Quantum Espresso, an open-source package suit used for conducting ab-initio density functional theory simulations. The lattice structure of stanene analogous to the other group-IV elements 2D structures like graphene, silicene, and germanene. The relaxed structure of stanene in hexagonal honeycomb structure is found to have a lattice parameter .  Unlike pristine graphene which has no buckling, stanene structure shows a buckling . All the calculations are carried out using generalized gradient approximation (GGA), and the exchange-correlation is treated using Perdew-Burke-Ernzerhof (PBE) functional. The cohesive energy of the structure is found to be . The calculations are conducted at groundstate without the inclusion of spin orbit coupling. The band structure, total and partial density of states at the ground state reveal the conducting nature of stanene. In addition, the second order elastic constants evaluated are reported and compared with the -tin and -tin counterparts. 

Keywords

Stanene, 2D Materials, Density Functional Theory (DFT), Second Order Elastic Constants (SOEC), Quantum Espresso (QE).

Current Issue

Cloud Medicine set to Revolutionize Doorstep Personalized Healthcare


Various surfactants for 0 – 3 dimensional nanocarbons: Separation, exfoliation and solubilization


Polypyrrole based biofunctional composite layer for bioelectrocatalytic device system


Innovative Graphene-PDMS sensors for aerospace applications 


Effect of hot drawing process and carbonization temperature in electrochemical behavior of electrospun carbon nanofibers


Chemical Reactivity and Electronical Properties of Graphene and Reduced Graphene Oxide on Different Substrates


Laser Raman micro-spectroscopy as an effective non-destructive method of detection and identification of various sp2 carbon modifications in industry and in nature


Electrochemical promotion of ammonia synthesis with proton-conducting solid oxide fuel cells


Biomimetic surfaces with hierarchical structure using microsized texture and nanosized Cu particles for superhydrophobicity


Enhancement the properties of high and low-density polyethylene membranes by radiation grafting process


Synthesis of 9-Aminoacridine and its Application as an Anode Material for Aqueous Rechargeable Lithium–ion Batteries


Facile synthesis of novel tough and highly flexible biodegradable membranes for water microfiltration


Investigating the possibility of using acetic acid in place of HF in chromium-benzenedicarboxylates (MIL-53 and MIL-101) synthesis applicable for CO2 adsorption


Previous issues

Smart Healthcare pulls up Clouds for Virtual Medicine

Selecting the correct electromagnetic inspection technology 

Influence of railway-track grinding on the track material condition and tribological behaviour

Micromechanical Fatigue Modelling of the Size Effect in Micro-Scale 316L Stainless Steel Specimens

Functionalization of Graphene and Reduced Graphene Oxide in Different Matrices

Effect of parasitic polytypes on ballistic electron transport in chemical vapor deposition grown 6H-SiC epitaxial layers

Photomemristive heterostructures based on two-dimensional crystals

Architecture - behaviour - properties relationship in Star-shaped MPA-PMMA and MPA-PS hyper-branched copolymers

Graphene and doped graphene: A comparative DFT study

Ag2CO3 / Magnetic reduced graphene oxide nanocomposite as advanced visible light photocatalytic hybrid materials for efficient degradation of azo dye

Optimization of acid hydrolysis process for the preparation cellulose nanofibrils

Alginate/k-carrageenan and alginate/gelatin composite hydrogel beads for controlled drug release of curcumin

Study of microstructure and mechanical properties of friction stir welded ferrite-martensite DP700 steel

Upcoming Congress

Knowledge Experience at Sea TM