Synthesis, Structure, and Properties of BaGe2: A Study of Tetrahedral Cluster Packing and Other Three-Connected Nets in Zintl Phases

Isostructural BaSi2, BaGe2 and SrGe2: electronic and optical properties

“…However it is evident that experimental lattice parameters and equilibrium volumes are within the LDA and GGA predictions. We have also found the relaxed atomic positions to be very close to the measured ones [9,10] as shown in Table 2. The estimated bulk moduli of these compounds are similar to those of Ca 2 Si, Ca 2 Ge [3] and Mg 2 Si [17] being several times smaller than the values of some transition metal silicides [18][19][20] and germanides [19].…”

Hydrogen Impurity Effects. A5Tt3 Intermetallic Compounds between A=Ca, Sr, Ba, Eu and Tt=Si, Ge, Sn with Cr5B3-like Structures that are Stable Both as Binary and as Ternary Hydride and Fluoride Phases

“…Distances in Si\ in the alkali-metal salts, BaSi , and Na BaSi all fall in the range of 2.40}2.46 A s , actually in the lower half of the range except in RbSi and CsSi (45), and these di!er surprisingly little from the distance in Ca Si , 2.45 A s , in spite of all the changes. The same is true for the analogous AGe and BaGe phases, 2.56}2.61 A s with a similar dependence on the nature of A versus 2.58 A s in Ca Ge (46). We will report later on a brief study of some analogous tetragonal A Tr phases for the electron-poorer triels (Tr) Ga, In, and Tl (8).…”

Structural, electronic and optical characteristics of SrGe2 and BaGe2: A combined experimental and computational study

“…Extensive works have been carried out in the past decade on these compounds to understand their suitability for many technological applications such as solar-cells, thermoelectric, superconductivity, and optoelectronics [4][5][6][7][8][9][10]. However, it is worth to mention that compared to silicides [5][6][7][8][9][10][11][12][13][14][15], very few systematic studies have been carried out for germanides [16][17][18][19] in this context. SrGe 2 and BaGe 2 have been reported way back in 1974 as semiconductors [19], which crystallize with the BaSi 2 -type structure (orthorhombic, space group D 16 2h À Pnma no.…”