Density-functional tight-binding study of the collapse of carbon nanotubes under hydrostatic pressure

Carbon ◽  
2014 ◽  
Vol 69 ◽  
pp. 355-360 ◽  
Author(s):  
Tiago F.T. Cerqueira ◽  
Silvana Botti ◽  
Alfonso San-Miguel ◽  
Miguel A.L. Marques
Keyword(s):  
Carbon Nanotubes ◽  
Hydrostatic Pressure ◽  
Density Functional ◽  
Tight Binding ◽  
Binding Study

scholarly journals Thermal bridging of graphene nanosheets via covalent molecular junctions: A non-equilibrium Green’s functions–density functional tight-binding study

Nano Research ◽  
2019 ◽  
Vol 12 (4) ◽  
pp. 791-799 ◽  
Author(s):  
Diego Martinez Gutierrez ◽  
Alessandro Di Pierro ◽  
Alessandro Pecchia ◽  
Leonardo Medrano Sandonas ◽  
Rafael Gutierrez ◽  
...  
Keyword(s):  
Density Functional ◽  
Green's Functions ◽  
Green’S Functions ◽  
Graphene Nanosheets ◽  
Tight Binding ◽  
Molecular Junctions ◽  
Binding Study ◽  
Thermal Bridging ◽  
Non Equilibrium

Tight-binding study of hydrogen adsorption on palladium decorated graphene and carbon nanotubes

2010 ◽  
Vol 35 (6) ◽  
pp. 2377-2384 ◽  
Author(s):  
I. López-Corral ◽  
E. Germán ◽  
M.A. Volpe ◽  
G.P. Brizuela ◽  
A. Juan
Keyword(s):  
Carbon Nanotubes ◽  
Hydrogen Adsorption ◽  
Tight Binding ◽  
Binding Study

SYMMETRY AND ELECTRO-OPTICAL PROPERTIES OF NANOTUBES

2002 ◽  
Vol 01 (03n04) ◽  
pp. 313-325 ◽  
Author(s):  
M. DAMNJANOVIĆ ◽  
I. MILOŠEVIĆ ◽  
T. VUKOVIĆ ◽  
B. NIKOLIĆ ◽  
E. DOBARDŽIĆ
Keyword(s):  
Carbon Nanotubes ◽  
Optical Properties ◽  
Density Functional ◽  
Tight Binding ◽  
Optical Characteristics ◽  
Optical Transitions ◽  
Matrix Elements ◽  
Selection Rules ◽  
Single Wall Carbon ◽  
Quantum Numbers

The symmetry of single-wall carbon and inorganic tubes is reviewed. For the carbon nanotubes it is used to get the full set of quantum numbers, in the efficient precision (combined density functional and tight-binding methods) calculation of electronic bands and their complete assignation, to obtain the selection rules for optical transitions and the momenta matrix elements for the Bloch eigen-states. The optical characteristics are thoroughly found, and discussed.

scholarly journals Density-functional based tight-binding study of small gold clusters

2006 ◽  
Vol 8 ◽  
pp. 9-9 ◽  
Author(s):  
P Koskinen ◽  
H Häkkinen ◽  
G Seifert ◽  
S Sanna ◽  
Th Frauenheim ◽  
...  
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Gold Clusters ◽  
Binding Study

Origin of Dirac Cones in SiC Silagraphene: A Combined Density Functional and Tight-Binding Study

2015 ◽  
Vol 6 (8) ◽  
pp. 1333-1339 ◽  
Author(s):  
Xuming Qin ◽  
Yi Liu ◽  
Xiaowu Li ◽  
Jingcheng Xu ◽  
Baoqian Chi ◽  
...  
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Binding Study

scholarly journals Density Functional Based Tight Binding Study on Wurzite ZnS Nanowires

2012 ◽  
Vol 22 (4) ◽  
Author(s):  
Le Thi Hong Lien ◽  
Vu Ngoc Tuoc ◽  
Nguyen Thi Thuong
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Binding Study
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