Influence of valence electron concentration on elastic, electronic and optical properties of the alkaline-earth tin oxides A3SnO (A=Ca, Sr and Ba): A comparative study with ASnO3 compounds

2011 ◽  
Vol 406 (14) ◽  
pp. 2714-2722 ◽  
Author(s):  
Djellal Cherrad ◽  
M. Maouche ◽  
M. Maamache ◽  
L. Krache
Keyword(s):  
Optical Properties ◽  
Comparative Study ◽  
Electron Concentration ◽  
Alkaline Earth ◽  
Valence Electron ◽  
Valence Electron Concentration ◽  
Electronic And Optical Properties ◽  
Tin Oxides

A New Condition of Formation and Stablity of All Crystalline Systems in a Good Agreement with Experimental Data

2015 ◽  
Vol 11 (3) ◽  
pp. 3224-3228
Author(s):  
Tarek El-Ashram
Keyword(s):  
Experimental Data ◽  
Brillouin Zone ◽  
Electron Concentration ◽  
Free Electron ◽  
Lattice Point ◽  
Valence Electron ◽  
Fermi Gas ◽  
Valence Electron Concentration ◽  
Fermi Sphere ◽  
Good Agreement

In this paper we derived a new condition of formation and stability of all crystalline systems and we checked its validity andit is found to be in a good agreement with experimental data. This condition is derived directly from the quantum conditionson the free electron Fermi gas inside the crystal. The new condition relates both the volume of Fermi sphere VF andvolume of Brillouin zone VB by the valence electron concentration VEC as ;𝑽𝑭𝑽𝑩= 𝒏𝑽𝑬𝑪𝟐for all crystalline systems (wheren is the number of atoms per lattice point).

scholarly journals Magnetic and Structural Transitions Tuned through Valence Electron Concentration in Magnetocaloric Mn(Co1–xNix)Ge

2018 ◽  
Vol 30 (4) ◽  
pp. 1324-1334 ◽  
Author(s):  
Qingyong Ren ◽  
Wayne D. Hutchison ◽  
Jianli Wang ◽  
Andrew J. Studer ◽  
Stewart J. Campbell
Keyword(s):  
Electron Concentration ◽  
Valence Electron ◽  
Valence Electron Concentration ◽  
Structural Transitions

A comparative study of structural, electronic and optical properties based on metal-doped methylammonium lead halidesviafirst-principles calculations

2019 ◽  
Vol 43 (24) ◽  
pp. 9453-9457 ◽  
Author(s):  
Diwen Liu ◽  
Huijuan Jing ◽  
Rongjian Sa ◽  
Kechen Wu
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Solar Cells ◽  
Comparative Study ◽  
Density Functional ◽  
Perovskite Solar Cells ◽  
Functional Theory ◽  
Electronic And Optical Properties ◽  
Metal Doped

To reduce the toxicity of Pb in perovskite solar cells, the structural stabilities, and electronic and optical properties of the mixed perovskites MAPb0.75B0.25I3(B = Mg, Ca, Sr, and Ba) were predicted using density functional theory.

Thermoelectric Properties of Ru2Si3-Based Chimney-Ladder Phases

2007 ◽  
Vol 561-565 ◽  
pp. 463-466 ◽  
Author(s):  
Kyosuke Kishida ◽  
Akira Ishida ◽  
Katsushi Tanaka ◽  
Haruyuki Inui
Keyword(s):  
Crystal Structures ◽  
Thermoelectric Properties ◽  
Electron Concentration ◽  
Valence Electron ◽  
Valence Electron Concentration ◽  
Compositional Range ◽  
Wide Compositional Range ◽  
P Type ◽  
Semiconducting Behavior

The variations of the crystal structures and thermoelectric properties of the Ru1-xRexSiy chimney-ladder phases were studied as a function of the Re concentration. A series of chimney-ladder phases with a compositional formula of Ru1-xRexSi1.539+0.178x are formed in a wide compositional range, 0.14 ≤ x ≤ 0.76. The composition of the chimney-ladder phase is systematically deviated from the idealized composition satisfying the valence electron concentration rule: VEC=14. Measurements of thermoelectric properties reveal that the chimney-ladder phases exhibit n-type semiconducting behavior at low Re concentrations and p-type semiconducting behavior at high Re concentrations, which are well consistent with the prediction based on the deviation of the composition of the chimney-ladder phase from the idealized composition.

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