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**I need to calculate with virtual nanolab the bandstructure of bismuth telluride. I want to obtein the follow resoult or obtain the bandstructure to calculate the band gap.**

The Band structure of Bi2Te3 is:

**In virtual nanolab, with Hexagonal (and other) simmetry there aren't the F and U zone of brillouin...**

**Are they called in another way?**

**If nobody know virtual nanolab can say me how to obtain the bandstructure to visualize the bandgap?? Which brillouin zone i must plot? Has got the bismuthtelluride an hexagonal simmetry?**

Here the

**.cif file of Bismuth telluride:**

data_global

_chemical_name_mineral 'Tellurobismuthite'

loop_

_publ_author_name

'Atabaeva E Y'

'Ickevich E S'

'Mashkov S A'

'Popova S V'

'Vereshchagin L F'

_journal_name_full 'Fizika Tverdogo Tela'

_journal_volume 10

_journal_year 1968

_journal_page_first 62

_journal_page_last 65

_publ_section_title

;

The polymorphism of bismuth telluride under high pressures and temperatures

;

_database_code_amcsd 0012645

_chemical_formula_sum 'Bi2 Te3'

_cell_length_a 4.417

_cell_length_b 4.417

_cell_length_c 29.84

_cell_angle_alpha 90

_cell_angle_beta 90

_cell_angle_gamma 120

_cell_volume 504.178

_exptl_crystal_density_diffrn 7.912

_symmetry_space_group_name_H-M 'R 3 m'

loop_

_space_group_symop_operation_xyz

'x,y,z'

'2/3+x,1/3+y,1/3+z'

'1/3+x,2/3+y,2/3+z'

'x,x-y,z'

'2/3+x,1/3+x-y,1/3+z'

'1/3+x,2/3+x-y,2/3+z'

'-y,-x,z'

'2/3-y,1/3-x,1/3+z'

'1/3-y,2/3-x,2/3+z'

'-x+y,y,z'

'2/3-x+y,1/3+y,1/3+z'

'1/3-x+y,2/3+y,2/3+z'

'-y,x-y,z'

'2/3-y,1/3+x-y,1/3+z'

'1/3-y,2/3+x-y,2/3+z'

'-x+y,-x,z'

'2/3-x+y,1/3-x,1/3+z'

'1/3-x+y,2/3-x,2/3+z'

loop_

_atom_site_label

_atom_site_fract_x

_atom_site_fract_y

_atom_site_fract_z

Bi1 0.00000 0.00000 0.18800

Bi2 0.00000 0.00000 0.59800

Te1 0.00000 0.00000 0.38900

Te2 0.00000 0.00000 0.80000

Te3 0.00000 0.00000 0.00000