Theoretical study of the electronic structure of the incoherent {211} Σ=3 grain boundary in Ge by the recursion approach

1987 ◽  
Vol 35 (3) ◽  
pp. 1267-1272 ◽  
Author(s):  
A. Mauger ◽  
J. Bourgoin ◽  
G. Allan ◽  
M. Lannoo ◽  
A. Bourret ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Grain Boundary ◽  
Theoretical Study

Comment on “Pressure-induced structural and valence transition in AgO” by C. Hou, J. Botana, X. Zhang, X. Wang and M. Miao, Phys. Chem. Chem. Phys., 2016, 18, 15322

2016 ◽  
Vol 18 (46) ◽  
pp. 31973-31974 ◽  
Author(s):  
Mariana Derzsi ◽  
Wojciech Grochala
Keyword(s):  
Electronic Structure ◽  
Recent Article ◽  
Theoretical Study ◽  
Mixed Valence ◽  
Chem Phys ◽  
External Pressure ◽  
Valence Transition ◽  
Mixed Valence Compound ◽  
Phys Chem Chem Phys

The recent article by Hou et al. has focused on a theoretical study of mixed valence compound AgO in order to elucidate the nature of the electronic structure of this system as a function of external pressure.

Segregation of H, C and B to Σ = 5 (0 1 3) α-Fe grain boundary: A theoretical study

2006 ◽  
Vol 253 (4) ◽  
pp. 1939-1945 ◽  
Author(s):  
S. Gesari ◽  
B. Irigoyen ◽  
A. Juan
Keyword(s):  
Grain Boundary ◽  
Theoretical Study

Experimental and theoretical study of the electronic structure of methyl chloroformate and methyl cyanoformate

2006 ◽  
Vol 800 (1-3) ◽  
pp. 62-68 ◽  
Author(s):  
Xiao-Qing Zeng ◽  
Mao-Fa Ge ◽  
Lin Du ◽  
Zheng Sun ◽  
Dian-Xun Wang
Keyword(s):  
Electronic Structure ◽  
Theoretical Study
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