Geometries and Electronic Structures of Alkaline Earth Auride Clusters, Au<SUB>4</SUB>M (M=Mg, Ca, Sr, Ba)
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چکیده
منابع مشابه
Alkaline earth lead and tin compounds Ae2Pb, Ae2Sn, Ae = Ca, Sr, Ba, as thermoelectric materials
We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2Sn, Sr2Sn and Ba2Sn. We find that these are all narrow band gap semiconductors with an electro...
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Two new orthophosphates, BaMn2Fe(PO4)3 [barium dimanganese(II) iron(III) tris-(orthophosphate)] and SrMn2Fe(PO4)3 [strontium dimanganese(II) iron(III) tris-(orthophosphate)], were synthesized by solid-state reactions. They are isotypic and crystallize in the ortho-rhom-bic system with space group type Pbcn. Their crystal structures comprise infinite zigzag chains of edge-sharing FeO6 octa-hedra...
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or Ce 3+ as an activator on the other side. Also, the quantum efficiency of the thiosilicates is acceptable (e.g. 30% for Sr2SiS4, 35% for Ca2SiS4) and open to further improvement, e.g. by finetuning the synthesis conditions [1]. The thermal quenching temperature T0.5 (defined as the temperature for which the emission intensity is half of the intensity at low temperature) in Ca2SiS4:Eu is suffi...
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Based on first-principles calculations, we report that external pressure can induce a topological phase transition in alkaline-earth hexaborides, XB6 (X = Ca, Sr, and Ba). It was revealed that XB6 are transformed from trivial semiconductors to topological node-line semimetals under moderate pressure when the spin-orbit coupling (SOC) is ignored. The band inversion between the B p-orbitals at th...
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Three new alkaline earth metal based MOFs have been synthesized by using 4,4'-sulfobisbenzoic acid (SBBA) and alkaline earth metal salts M(NO(3))(2), M = Ca, Sr, Ba. These MOFs exhibit interesting structural diversity, variable chemical stability as well as proton conductivity.
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ژورنال
عنوان ژورنال: MATERIALS TRANSACTIONS
سال: 2008
ISSN: 1345-9678,1347-5320
DOI: 10.2320/matertrans.mb200803