Enhancing optical anisotropy of crystals by optimizing bonding electron distribution in anionic groups

2017 ◽  
Vol 53 (19) ◽  
pp. 2818-2821 ◽  
Author(s):  
Bing-Hua Lei ◽  
Zhihua Yang ◽  
Shilie Pan
Keyword(s):  
Optical Anisotropy ◽  
Electron Distribution ◽  
Coherent Light ◽  
Deep Uv ◽  
Anionic Groups ◽  
Bonding Electron

Contrivable deep-UV coherent light from an originally non-phase-matchable crystal was achieved by optimizing bonding electron distribution in anionic groups.

K2[B3O3(OH)5]: A new deep-UV nonlinear optical crystal with isolated [B3O3(OH)5]2- anionic groups

2018 ◽  
Vol 735 ◽  
pp. 677-683 ◽  
Author(s):  
Qian Wang ◽  
Chensheng Lin ◽  
Guohong Zou ◽  
Mengjiao Liu ◽  
Daojiang Gao ◽  
...  
Keyword(s):  
Nonlinear Optical ◽  
Nonlinear Optical Crystal ◽  
Deep Uv ◽  
Optical Crystal ◽  
Anionic Groups

Bonding Electron Distribution of GaP, GaAs and GaSb

1989 ◽  
Vol 28 (Part 1, No. 4) ◽  
pp. 573-576 ◽  
Author(s):  
Ryosei Uno ◽  
Jun Ishigaki ◽  
Haruo Ozawa ◽  
Ken Yukino
Keyword(s):  
Electron Distribution ◽  
Bonding Electron

Study of charge transfer in FeTi

1983 ◽  
Vol 41 ◽  
pp. 296-297
Author(s):  
J. Taft∅
Keyword(s):  
Charge Transfer ◽  
Charge Distribution ◽  
Electron Scattering ◽  
Periodic System ◽  
Electron Distribution ◽  
Scattering Amplitude ◽  
Transition Elements ◽  
Hartree Fock ◽  
Cscl Structure ◽  
The Right

It is well known that for reflections corresponding to large interplanar spacings (i.e., sin θ/λ small), the electron scattering amplitude, f, is sensitive to the ionicity and to the charge distribution around the atoms. We have used this in order to obtain information about the charge distribution in FeTi, which is a candidate for storage of hydrogen. Our goal is to study the changes in electron distribution in the presence of hydrogen, and also the ionicity of hydrogen in metals, but so far our study has been limited to pure FeTi. FeTi has the CsCl structure and thus Fe and Ti scatter with a phase difference of π into the 100-ref lections. Because Fe (Z = 26) is higher in the periodic system than Ti (Z = 22), an immediate “guess” would be that Fe has a larger scattering amplitude than Ti. However, relativistic Hartree-Fock calculations show that the opposite is the case for the 100-reflection. An explanation for this may be sought in the stronger localization of the d-electrons of the first row transition elements when moving to the right in the periodic table. The tabulated difference between fTi (100) and ffe (100) is small, however, and based on the values of the scattering amplitude for isolated atoms, the kinematical intensity of the 100-reflection is only 5.10-4 of the intensity of the 200-reflection.

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