ChemInform Abstract: Synthesis, Structures, Optical Properties and Electronic Structures of Two Mixed Metal Borates MBaB5O9(M: Na, K).

ChemInform ◽  
2014 ◽  
Vol 45 (6) ◽  
pp. no-no
Author(s):  
Hongwei Yu ◽  
Shilie Pan ◽  
Hongping Wu ◽  
Xin Su ◽  
Zhihua Yang
Keyword(s):  
Optical Properties ◽  
Electronic Structures ◽  
Mixed Metal

Synthesis, structures, optical properties and electronic structures of two mixed metal borates MBaB5O9 (M=Na, K)

2014 ◽  
Vol 585 ◽  
pp. 602-607 ◽  
Author(s):  
Hongwei Yu ◽  
Shilie Pan ◽  
Hongping Wu ◽  
Xin Su ◽  
Zhihua Yang
Keyword(s):  
Optical Properties ◽  
Electronic Structures ◽  
Mixed Metal

scholarly journals Comparative Study on Electronic Structure and Optical Properties of α-Fe2O3, Ag/α-Fe2O3 and S/α-Fe2O3

Metals ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 424
Author(s):  
Cuihua Zhao ◽  
Baishi Li ◽  
Xi Zhou ◽  
Jianhua Chen ◽  
Hongqun Tang
Keyword(s):  
Optical Properties ◽  
Optical Absorption ◽  
Electronic Structures ◽  
Density Functional ◽  
Peak Strength ◽  
Visible Range ◽  
High Symmetry ◽  
Functional Theory ◽  
Optical Absorption Peak ◽  
Calculation Results

The electronic structures and optical properties of pure, Ag-doped and S-doped α-Fe2O3 were studied using density functional theory (DFT). The calculation results show that the structure of α-Fe2O3 crystal changes after Ag and S doping, which leads to the different points of the high symmetry of Ag-doped and S-doped α-Fe2O3 with that of pure α-Fe2O3 in the energy band, as well as different Brillouin paths. In addition, the band gap of α-Fe2O3 becomes smaller after Ag and S doping, and the optical absorption peak shifts slightly toward the short wavelength, with the increased peak strength of S/α-Fe2O3 and the decreased peak strength of Ag/α-Fe2O3. However, the optical absorption in the visible range is enhanced after Ag and S doping compared with that of pure α-Fe2O3 when the wavelength is greater than 380 nm, and the optical absorption of S-doped α-Fe2O3 is stronger than that of Ag-doped α-Fe2O3.

Optical properties and electronic structures of single crystallineRAl3(R=Sc,Yb, and Lu)

2003 ◽  
Vol 67 (7) ◽  
Author(s):  
S. J. Lee ◽  
J. M. Park ◽  
P. C. Canfield ◽  
D. W. Lynch
Keyword(s):  
Optical Properties ◽  
Electronic Structures

scholarly journals Electronic Structure and Optical Properties of Co and Fe Doped ZnO

2016 ◽  
Vol 43 ◽  
pp. 23-28 ◽  
Author(s):  
Chun Ping Li ◽  
Ge Gao ◽  
Xin Chen
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Electronic Structures ◽  
Density Functional ◽  
Band Gaps ◽  
First Principle ◽  
Functional Theory ◽  
Doped Zno ◽  
Pseudo Potential ◽  
Co Doped

First-principle ultrasoft pseudo potential approach of the plane wave based on density functional theory (DFT) has been used for studying the electronic characterization and optical properties of ZnO and Fe, Co doped ZnO. The results show that the doping impurities change the lattice parameters a little, but bring more changes in the electronic structures. The band gaps are broadened by doping, and the Fermi level accesses to the conduction band which will lead the system to show the character of metallic properties. The dielectric function and absorption peaks are identified and the changes compared to pure ZnO are analyzed in detail.

Chemistry and optical properties of 4d and 5d transition metals. III. Chemistry and electronic structures of ruthenium acidonitrosylammines, [Ru(NH3)4(NO)(L)]q+1a

1972 ◽  
Vol 11 (4) ◽  
pp. 880-888 ◽  
Author(s):  
A. F. Schreiner ◽  
S. W. Lin ◽  
P. J. Hauser ◽  
E. A. Hopcus ◽  
D. J. Hamm ◽  
...  
Keyword(s):  
Optical Properties ◽  
Transition Metals ◽  
Electronic Structures
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