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

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

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

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

Density functional tight binding study of β-Ga2O3: Electronic structure, surface energy, and native point defects

2019 ◽  
Vol 150 (17) ◽  
pp. 174706 ◽  
Author(s):  
Jonghoon Lee ◽  
Sabyasachi Ganguli ◽  
Ajit K. Roy ◽  
Stefan C. Badescu
Keyword(s):  
Electronic Structure ◽  
Surface Energy ◽  
Point Defects ◽  
Density Functional ◽  
Tight Binding ◽  
Binding Study ◽  
Native Point Defects ◽  
Structure Surface
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