Preserving the half-metallicity at the interfaces of zinc-blende MnSb/GaSb heterojunction: A density functional theory study

2014 ◽  
Vol 95 ◽  
pp. 557-562 ◽  
Author(s):  
N. Liu ◽  
G.Y. Gao ◽  
J.B. Liu ◽  
K.L. Yao
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Half Metallicity ◽  
Functional Theory ◽  
Zinc Blende

scholarly journals Acetate ligands determine the crystal structure of CdSe nanoplatelets – a density functional theory study

2016 ◽  
Vol 18 (32) ◽  
pp. 22021-22024 ◽  
Author(s):  
Rik S. Koster ◽  
Changming Fang ◽  
Alfons van Blaaderen ◽  
Marjolein Dijkstra ◽  
Marijn A. van Huis
Keyword(s):  
Crystal Structure ◽  
Density Functional Theory ◽  
Cadmium Selenide ◽  
Crucial Role ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Zinc Blende

Density functional theory calculations show that acetate ligands play a crucial role in stabilising cadmium selenide nanoplatelets in the zinc blende crystal structure.

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