Table S1 Properties of SnTiO



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Table S2 Lattice constants (Å) and atomic positions (fractional coordinates) of 4 phase of SnO(SnTiO3)1 .

I4/mmm
















I2mm










a = 3.835







a = 4.430, b = 3.592

c = 12.338







c = 12.912

Sn

0.5

0.5

0.348







Sn

0.371

0.5

0.355

Ti

0

0

0.5







Ti

-0.052

0

0.5

O

0

0

0.339







O

0.552

0

0.5

O

0.5

0

0.5







O

0.070

0

0.356



















O

0.097

0.5

0.5































I4mm
















Aba2










a = 3.770







a = 5.542, b = 4.778

c = 13.280







c = 15.326

Sn

0.5

0.5

0.371







Sn

-0.122

0.014

0.339

O

0.5

0.5

0.148







Ti

0.006

0.0

0.0

Sn

0

0

0.180







O

-0.204

-0.26

0.046

Ti

0

0

0.512







O

0.068

-0.82

0.111

O

0

0

0.332



















O

0.5

0

0.484




















Figure.S3 Structures and polarization directions of 4 phase of SnO(SnTiO3)1


Fig. S4 Energy difference of F2mm and Cmac phase with respect to I4/mmm phase as a function of strain.


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