title: La(1-x)Bi(1+x)S3 (x ≈ 0.08): An n-Type Semiconductor.
abstract: The new bismuth chalcogenide La(0.92)Bi(1.08)S3 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 La(0.92)Bi(1.08)S3 is built 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 band gap of ∼1 eV and activation energy for transport of 0.36(1) eV. Thermopower measurements suggest the majority carriers of La(0.92)Bi(1.08)S3 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 indirect gap of La(0.92)Bi(1.08)S3.
authors.affiliation: Materials Science Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.
authors.forename: Fei
authors.initials: F
authors.lastname: Han
authors.affiliation: National Laboratory of Solid State Microstructures, School of Physics, Collaborative Innovation Center of Advanced Microstructures, Nanjing University , Nanjing 210093, China.
authors.forename: Huimei
authors.initials: H
authors.lastname: Liu
authors.affiliation: Materials Science Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.|Department of Chemistry, Northwestern University , Evanston, Illinois 60208, United States.
authors.forename: Christos D
authors.initials: CD
authors.lastname: Malliakas
authors.affiliation: Materials Science Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.
authors.forename: Mihai
authors.initials: M
authors.lastname: Sturza
authors.affiliation: Materials Science Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.
authors.forename: Duck Young
authors.initials: DY
authors.lastname: Chung
authors.affiliation: National Laboratory of Solid State Microstructures, School of Physics, Collaborative Innovation Center of Advanced Microstructures, Nanjing University , Nanjing 210093, China.
authors.forename: Xiangang
authors.initials: X
authors.lastname: Wan
authors.affiliation: Materials Science Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.|Department of Chemistry, Northwestern University , Evanston, Illinois 60208, United States.
authors.forename: Mercouri G
authors.initials: MG
authors.lastname: Kanatzidis