Can corundum be described as an ionic oxide?

1993 ◽  
Vol 99 (9) ◽  
pp. 6818-6823 ◽  
Author(s):  
Carmen Sousa ◽  
Francesc Illas ◽  
Gianfranco Pacchioni
Keyword(s):  
1974 ◽  
Vol 60 (11) ◽  
pp. 4145-4155 ◽  
Author(s):  
Gregory J. Exarhos ◽  
Philip J. Miller ◽  
William M. Risen

2003 ◽  
Vol 42 (15) ◽  
pp. 1759-1761 ◽  
Author(s):  
Mario Chiesa ◽  
Maria Cristina Paganini ◽  
Elio Giamello ◽  
Cristiana Di Valentin ◽  
Gianfranco Pacchioni
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2019 ◽  
Vol 114 (20) ◽  
pp. 203101 ◽  
Author(s):  
Jian-Min Li ◽  
Yun-Bing Hu
Keyword(s):  

Author(s):  
Colin F. Jones ◽  
Robyn A. Reeve ◽  
Rupert Rigg ◽  
Robert L. Segall ◽  
Roger St. C. Smart ◽  
...  

ChemInform ◽  
2010 ◽  
Vol 25 (8) ◽  
pp. no-no
Author(s):  
C. SOUSA ◽  
F. ILLAS ◽  
G. PACCHIONI
Keyword(s):  

2010 ◽  
Vol 58 (19) ◽  
pp. 6404-6410 ◽  
Author(s):  
D. Gómez-García ◽  
Juan J. Meléndez ◽  
Robert L. González-Romero ◽  
A. Domínguez-Rodríguez

2006 ◽  
Vol 39 (11) ◽  
pp. 861-867 ◽  
Author(s):  
Mario Chiesa ◽  
Maria Cristina Paganini ◽  
Elio Giamello ◽  
Damien M. Murphy ◽  
Cristiana Di Valentin ◽  
...  

2009 ◽  
Vol 23 (31n32) ◽  
pp. 3687-3694 ◽  
Author(s):  
ZHIGANG ZHANG ◽  
DONGFENG XUE

We present a systematic study of the local distortions produced upon doping metal ions to lithium niobate ( LiNbO 3, LN) single crystals. The impurity bond length can be predicted by a radial force constant model, when the dopant ions substitute for Li + or Nb 5+ ions in the LN crystallographic frame. From the viewpoint of constituent chemical bonds, the lattice energy can be described as the function of bond valence on the basis of Born–Haber cycle for the formation of an ionic oxide M m O n . The dopant occupancy in the LN matrix can be determined by comparing the deviation of its lattice energy in different locations at both Li + and Nb 5+ sites, on the basis of the bond length relaxation of impurity ions, which can agree well with the experiment results. The effect of impurity ions on the property modification of LN crystals is also discussed according to our calculated results.


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