Ge substitutional defects and the $\surd$ 3 $times$$\surd$ 3 $\leftrightarrow$ 3 $times$ 3 transition in $\alpha$-Sn/Ge(111)

Ge substitutional defects and the √ 3 × √ 3 ↔ 3 × 3 transition in α - Sn / Ge ( 111 )

The structure and energetics of Ge substitutional defects on the α-Sn/Ge(111) surface are analysed using density functional theory molecular dynamics simulations. An isolated Ge defect induces a very local distortion of the 3 × 3 reconstruction, confined to a significant downwards displacement (−0.31 Å) at the defect site and a modest upward displacement (0.05 Å) of the three Sn nearest neighbo...

Dynamical fluctuations and the √ 3 × √ 3 ↔ 3 × 3 transition in α - Sn / Ge ( 111 ) and Sn / Si ( 111 )

A critical review of our understanding of the reversible phase transition √ 3 × √3 ↔ 3 × 3 for the α-phase of the Sn/Ge(111) and Sn/Si(111) interfaces is presented. Experimental data and theoretical calculations suggest the following. (a) Sn/Ge(111) presents a reversible phase transition associated with the freezing of a surface soft phonon. At high temperature the dynamical fluctuations of the...

Surface Soft Phonon and the p 3 3 p 3 $ 3 3 3 Phase Transition in Sn Ge 111 and Sn Si 111

Density functional theory calculations show that the reversible Sn Ge(111) p 3 3 p 3 $ 3 3 3 phase transition can be described in terms of a surface soft phonon. The isovalent Sn Si(111) case does not display this transition since the p 3 3 p 3 phase is the stable structure at low temperature, although it presents a partial softening of the 3 3 3 surface phonon. The rather flat energy surfaces ...

3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3

Preparation and Characterization of Smcl3(THF)3 and Sm(BH4)3(THF)3 Complexes

The synthesis of SmCl3(THF)3 from SmCl3.6H2O is described. The reaction of SmCl3(THF)3 with NaBH4 in dry THF gave white microcrystalline tris (tetrahydroborato) tris (tetrahydrofuran) samarium (III), Sm(BH4)3(THF)3. The vibrational and magnetic properties of Sm(BH4)3...