scholarly journals A first principle study of electronic and structural properties of Indium Arsenide (InAs)

2014 ◽  
Vol 01 (01) ◽  
pp. 1002
Author(s):  
Vrishali Joshi
Keyword(s):  
Structural Properties ◽  
Indium Arsenide ◽  
First Principle ◽  
Electronic And Structural Properties

Effects of C1–3-doping on electronic and structural properties of Stone–Wales defective boron nitride nanotubes as well as their NO gas sensitivity

RSC Advances ◽  
2016 ◽  
Vol 6 (14) ◽  
pp. 11353-11369 ◽  
Author(s):  
Hossein Roohi ◽  
Layla Maleki
Keyword(s):  
Boron Nitride ◽  
Structural Properties ◽  
Boron Nitride Nanotubes ◽  
First Principle ◽  
Chemical Sensitivity ◽  
Gas Sensitivity ◽  
Electronic And Structural Properties

In this work, a first principle exploration was performed to investigate the electronic and structural properties of C-doped Stone–Wales (SW) defective (6,0) single-walled boron nitride nanotubes (BNNTs) as well as their chemical sensitivity toward NO gas using DFT approach.

STUDY OF THE ELECTRONIC AND STRUCTURAL PROPERTIES OF ZnO CLUSTERS

2010 ◽  
Vol 24 (17) ◽  
pp. 3297-3309 ◽  
Author(s):  
BIPLAB SANYAL ◽  
ABHIJIT MOOKERJEE
Keyword(s):  
Electronic Structure ◽  
Structural Properties ◽  
Size Range ◽  
Binding Energies ◽  
First Principle ◽  
Ring Structures ◽  
Zno Clusters ◽  
Electronic And Structural Properties ◽  
Homo Lumo

We present a systematic first-principle study of the structures, energetics and electronic structure of (ZnO) n clusters in the size range 1 ≤ n≤ 12. We show that the planar ring structures are stable for n < 8, while spheroidal structures made out of rings of (ZnO) 3 and (ZnO) 2 are stable for n ≥ 8. We examine the binding energies and HOMO–LUMO gaps of the clusters and try to understand our results from simple physical ideas.

Electronic and structural properties of low-index L12–Al3Zr surfaces by first-principle calculations

Calphad ◽  
2019 ◽  
Vol 66 ◽  
pp. 101645 ◽  
Author(s):  
Tianxing Yang ◽  
Xiujun Han ◽  
Zongye Ding ◽  
Yuanxu Wang ◽  
Jianguo Li
Keyword(s):  
Structural Properties ◽  
First Principle ◽  
First Principle Calculations ◽  
Electronic And Structural Properties

Electronic and structural properties ofLa3Ni2B2N3

1995 ◽  
Vol 51 (13) ◽  
pp. 8668-8671 ◽  
Author(s):  
David J. Singh ◽  
Warren E. Pickett
Keyword(s):  
Structural Properties ◽  
Electronic And Structural Properties

Electronic and structural properties of Sr2YSbO6

2007 ◽  
Vol 398 (2) ◽  
pp. 248-251 ◽  
Author(s):  
O. Ortiz-Diaz ◽  
M. Jairo Arbey Rodríguez ◽  
F. Fajardo ◽  
D.A. Landínez Téllez ◽  
J. Roa-Rojas
Keyword(s):  
Structural Properties ◽  
Electronic And Structural Properties
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