The electronic structure of alkaline earth metal sulfides

1982 ◽  
Vol 23 (1) ◽  
pp. 68-71
Author(s):  
S. S. Mikhailova ◽  
G. V. Vol'f ◽  
I. V. Gribov ◽  
L. D. Finkel'shtein
Keyword(s):  
Electronic Structure ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Metal Sulfides ◽  
Alkaline Earth Metal

Effect of alkaline earth metal at the single wall CNT mouth on the electronic structure and second hyperpolarizability

2016 ◽  
Vol 15 (05) ◽  
pp. 1650040 ◽  
Author(s):  
Kaushik Hatua ◽  
Prasanta K. Nandi
Keyword(s):  
Electronic Structure ◽  
Metal Atom ◽  
Ground State ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Longitudinal Component ◽  
Alkaline Earth Metals ◽  
Alkaline Earth Metal ◽  
Second Hyperpolarizability ◽  
Two State Model

In the present work, electronic structure and second hyperpolarizability of a number of alkaline earth metals (M [Formula: see text] Be, Mg and Ca) complexes with carbon nanotube (CNT) has been studied by using different DFT functional. The complexes have sufficient thermal stability. Significant amount of charge transfer from metal to CNT results in stronger ground state polarization. The second hyperpolarizability obtained at different DFT functional (BHHLYP, CAM-B3LYP, B2PLYP, [Formula: see text]B97XD) showed a consistent trend. The magnitude of second hyperpolarizability of M@CNT[3,0] complexes enhances rather appreciably when a second metal atom is introduced into other mouth position. The longitudinal component of second hyperpolarizability of M@CNT[3,0]@M complexes increases with increasing size of metal atom. The magnitude of second hyperpolarizability of Ca@CNT[3,0]@Ca complex is comparable with Fe([Formula: see text]-C[Formula: see text]B[Formula: see text]. However, widening/lengthening of CNT markedly reduces the cubic responses. The two state model can qualitatively explain the variation of second hyperpolarizability.

scholarly journals A simple route to complex materials: the synthesis of alkaline earth – transition metal sulfides

2017 ◽  
Vol 53 (72) ◽  
pp. 10058-10061 ◽  
Author(s):  
Mundher Al-Shakban ◽  
Peter D. Matthews ◽  
Paul O'Brien
Keyword(s):  
Alkaline Earth ◽  
Earth Metal ◽  
Metal Sulfides ◽  
Alkaline Earth Metal ◽  
Complex Materials ◽  
Low Temperature Synthesis ◽  
Temperature Synthesis ◽  
Metal Chalcogenide ◽  
Simple Route ◽  
Chalcogenide Thin Films

A simple, low-temperature synthesis of a family of alkaline earth metal chalcogenide thin films is reported.

scholarly journals Phase transitions of alkaline-earth metal sulfides under pressure

2021 ◽  
Author(s):  
Yuefeng Wang ◽  
Aitor Bergara ◽  
Cancan Shao ◽  
Lin Wang ◽  
Xiaowei Liang ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Metal Sulfides ◽  
Alkaline Earth Metal
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