Variation of band gap and vacancy formation energy of lithium nitride with 3d transition metal substitution

2017 ◽  
Vol 52 (16) ◽  
pp. 9780-9786 ◽  
Author(s):  
Shunnian Wu ◽  
Ping Wu
Keyword(s):  
Transition Metal ◽  
Band Gap ◽  
Formation Energy ◽  
Vacancy Formation Energy ◽  
Vacancy Formation ◽  
Metal Substitution ◽  
Lithium Nitride ◽  
Transition Metal Substitution

Vacancy formation energy in K2O

2018 ◽  
Author(s):  
V. P. Saleel Ahammad Saleel ◽  
R. D. Eithiraj
Keyword(s):  
Formation Energy ◽  
Vacancy Formation Energy ◽  
Vacancy Formation

Vacancy Formation Energy and Kinetic Properties of Liquid Metals

2021 ◽  
Vol 880 ◽  
pp. 43-48
Author(s):  
Yuri N. Starodubtsev ◽  
V.S. Tsepelev
Keyword(s):  
Diffusion Coefficient ◽  
Kinematic Viscosity ◽  
Formation Energy ◽  
Liquid Metals ◽  
Linear Regression Analysis ◽  
Vacancy Formation Energy ◽  
Vacancy Formation ◽  
Kinetic Properties ◽  
Self Diffusion ◽  
Self Diffusion Coefficient

We investigated the relationship of the vacancy formation energy with kinematic viscosity and self-diffusion coefficient in liquid metals at the melting temperature. Formulas are obtained that relate experimental values of the vacancy formation energy, kinematic viscosity, and self-diffusion coefficient to the atomic size and mass, the melting and Debye temperatures. The viscosity and self-diffusion parameters are introduced. The ratio of these parameters to vacancy formation energy is equal to dimensionless constants. It is shown that the formulas for viscosity and self-diffusion differ only in dimensionless constants; the values of these constants are calculated. Linear regression analysis was carried out and formulas with the highest adjusted coefficient of determination were identified. The calculated values of the self-diffusion coefficient for a large number of liquid metals are presented.

Transition metal substitution in Fe2P-based MnFe0.95P0.50Si0.50 magnetocaloric compounds

2018 ◽  
Vol 730 ◽  
pp. 392-398 ◽  
Author(s):  
Z.Q. Ou ◽  
N.H. Dung ◽  
L. Zhang ◽  
L. Caron ◽  
E. Torun ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Substitution ◽  
Transition Metal Substitution
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