Electronic structure of bridging halogen atoms in metal halide dimers studied by the AM1 method and NQR spectroscopy

1996 ◽  
Vol 6 (3) ◽  
pp. 267-274
Author(s):  
O.Kh. Poleshchuk ◽  
B. Nogaj ◽  
J.N. Latosińska ◽  
J. Koput
Keyword(s):  
Electronic Structure ◽  
Metal Halide ◽  
Am1 Method ◽  
Halogen Atoms

Electronic Structure of Heavy Halogen Atoms Adsorbed on the Cu(111) Surface: A Combined ARPES and First Principles Calculations Study

2019 ◽  
Vol 123 (43) ◽  
pp. 26309-26314 ◽  
Author(s):  
Won June Kim ◽  
Sarah Xing ◽  
Geoffroy Kremer ◽  
Muriel Sicot ◽  
Bertrand Kierren ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
First Principles Calculations ◽  
Halogen Atoms

scholarly journals Effect of metal doping on the visible light absorption, electronic structure and mechanical properties of non-toxic metal halide CsGeCl3

RSC Advances ◽  
2018 ◽  
Vol 8 (58) ◽  
pp. 33010-33018 ◽  
Author(s):  
Md. Zahidur Rahaman ◽  
A. K. M. Akther Hossain
Keyword(s):  
Mechanical Properties ◽  
Electronic Structure ◽  
Dft Calculations ◽  
Visible Light ◽  
Light Absorption ◽  
Toxic Metal ◽  
Metal Halide ◽  
Metal Doping ◽  
Visible Light Absorption ◽  
Mn Doped

We have studied the optical, electronic and mechanical properties of Ni and Mn-doped CsGeCl3 using DFT calculations.

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