La{sub 1-x}Bi{sub 1+xSr{sub 3} (x ~ 0.08): an {ital n}-type semiconductor.

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Abstract

The new bismuth chalcogenide La0.92Bi1.08S3 crystallizes in the monoclinic space group C2/m with a = 28.0447(19) Å, b = 4.0722(2) Å, c = 14.7350(9) Å, and β = 118.493(5)°. The structure of La0.92Bi1.08S3 is built up of NaCl-type Bi2S5 blocks, and BiS4 and LaS5 infinitely long chains forming a compact three-dimensional framework with parallel tunnels. Optical spectroscopy and resistivity measurements reveal a semiconducting behavior with a direct band gap of 1.08(2) eV and activation energy for transport of 0.36(1) eV. Thermopower measurements suggest the majority carriers of La0.92Bi1.08S3 are electrons. Heat capacity measurements indicate no phase transitions from 2 to 300 K. Band structure calculations at the density functional theory level confirm the semiconducting nature and the direct gap of La0.92Bi1.08S3.