TY - JOUR
T1 - Crystal structure and elementary electronic properties of Bi-stabilized α-In2Se3
AU - Ji, Huiwen
AU - Reijnders, Anjan
AU - Liang, Tian
AU - Schoop, L. M.
AU - Burch, K. S.
AU - Ong, N. P.
AU - Cava, R. J.
N1 - Funding Information:
This work was supported by the MRSEC program of the US National Science Foundation , grant NSF DMR-0819860 . Optical measurements performed at the University of Toronto were supported by the National Science and Engineering Research Council and the Ontario Ministry for Research and Innovation .
PY - 2013/7
Y1 - 2013/7
N2 - The introduction of Bi as a substitution for In at ∼12% in In 2Se3 stabilizes the α-polymorph and facilitates the crystal growth by the modified Bridgeman method. The crystal structure (R-3m, Z = 3, a = 3.9978(8), c = 28.276(6)) and composition, (In0.88Bi 0.12)2Se3, of the crystals were determined by single crystal X-ray diffraction. The structure, of the tetradymite type, displays positional disorder within the middle Se layer. Optical measurements indicate that (In0.88Bi0.12)2Se3 has an indirect band gap of about 1.19 eV, shown by electronic structure calculations to be from valence band states near the Γ point to conduction band states at the L point. Resistivity and Hall effect measurements on Sn-doped crystals of composition (In0.88Bi0.115Sn 0.005)2Se3 show it to have a relatively high semiconducting resistivity, about 6 × 104 Ω cm at 300 K, with an n-type carrier concentration varying from 1012/cm3 at 300 K to 1015/cm3 at 400 K.
AB - The introduction of Bi as a substitution for In at ∼12% in In 2Se3 stabilizes the α-polymorph and facilitates the crystal growth by the modified Bridgeman method. The crystal structure (R-3m, Z = 3, a = 3.9978(8), c = 28.276(6)) and composition, (In0.88Bi 0.12)2Se3, of the crystals were determined by single crystal X-ray diffraction. The structure, of the tetradymite type, displays positional disorder within the middle Se layer. Optical measurements indicate that (In0.88Bi0.12)2Se3 has an indirect band gap of about 1.19 eV, shown by electronic structure calculations to be from valence band states near the Γ point to conduction band states at the L point. Resistivity and Hall effect measurements on Sn-doped crystals of composition (In0.88Bi0.115Sn 0.005)2Se3 show it to have a relatively high semiconducting resistivity, about 6 × 104 Ω cm at 300 K, with an n-type carrier concentration varying from 1012/cm3 at 300 K to 1015/cm3 at 400 K.
KW - A. Chalcogenides
KW - A. Optical materials
KW - C. X-ray diffraction
KW - D. Electrical properties
KW - D. Optical properties
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U2 - 10.1016/j.materresbull.2013.03.002
DO - 10.1016/j.materresbull.2013.03.002
M3 - Article
AN - SCOPUS:84877580662
SN - 0025-5408
VL - 48
SP - 2517
EP - 2521
JO - Materials Research Bulletin
JF - Materials Research Bulletin
IS - 7
ER -