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Structural properties of Sb- and Te-based binary compounds: Spin-orbit effect

Al-Douri Y.

Materials Science Poland

2013

Vol. 31, No. 1

133-138

The band structure of AlSb, GaSb, ZnTe and CdTe is calculated using the empirical pseudopotential method (EPM) coupled with spin-orbit (SO) splitting. We applied our empirical model of bulk modulus with SO effect. It has been noticed that SO has a crucial effect on the band structure of these compounds but does not in?uence the structural phase transition. The calculated results are in good agreement with the experimental data.

Solid solutions based on the M5X3 binary compounds in the M-{Si, Ge}-Sb ternary systems (M - Ti, Zr, Y; X - Si, Ge, Sb)

Kozlov A. Yu., Pavlyuk V. V.

Prace Naukowe. Chemia / Wyższa Szkoła Pedagogiczna w Częstochowie

2003

Vol. 8

23--28

The solid solutions based on M5X3 binary compounds in Ti-{Si, Ge}-Sb, Zr-Si-Sb and Y-{Si, Ge}-Sb ternary systems at 400°C were found (str. Type Mn5Si3, space group P63/mcm). The crystal structure of Ti5Si2.76Sb0.24 (a=0.7500 nm, c=0.5182 nm) and Ti5Ge2.26Sb0.74(a=0.7604(5) nm, c=0.5260(3) nm) was investigated by single-crystal X-ray analysis. Continuous solid solutions between Y5Si3-Y5Sb3 and Y5Ge3-Y5Sb3 compounds were investigated by powder X-ray analysis. The solid solution Zr5SixSb3+y (x=0-1, y=0-1) is formed by interstitial of atoms of Si in triqonal antiprisms which are formed by Zr atoms in 6g sites in Zr5Sb3 (str. type Mn5Si3, space group P63/mcm) binary compound or substitution of atoms of Sb in 2b sites by Si atoms in Zr5Sb4 (str. type Ti5Ga4, space group P63/mcm) binary compound.