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Title: Electronic structure, galvanomagnetic and magnetic properties of the bismuth subhalides Bi{sub 4}I{sub 4} and Bi{sub 4}Br{sub 4}

Abstract

Two bismuth-rich subhalides, Bi{sub 4}Br{sub 4} and Bi{sub 4}I{sub 4}, featuring extended quasi one-dimensional metallic fragments in their structures, have been investigated. The gas-phase technique of crystal growth has been refined for obtaining large (up to 5 mm long) single crystals. Electronic structure calculations on three-dimensional structures of both compounds have been performed (DFT level, hybrid B3LYP functional), predicting a semiconducting behavior for both compounds, with an indication of possible directional anisotropy of electric conductivity. Galvanomagnetic (resistance, magnetoresistance, Hall effect, thermopower) and magnetic (temperature and field dependence of magnetization) properties have been measured experimentally. Both compounds are found to be diamagnetic, room-temperature semiconductors with n-type conductivity. While Bi{sub 4}Br{sub 4} demonstrates a typical case of one dimensionality, the difference in magnetoresistivity between Bi{sub 4}Br{sub 4} and Bi{sub 4}I{sub 4} indicates some weak interactions between isolated bismuth metallic fragments within the bismuth substructures. - Graphical abstract: Quasi one-dimensional compounds Bi{sub 4}Br{sub 4} and Bi{sub 4}I{sub 4} have been investigated theoretically (electronic structure calculations) and experimentally (galvanomagnetic and magnetic measurements). Both compounds are found to be diamagnetic, room-temperature semiconductors with n-type conductivity and a possibility of significant directional anisotropy. Magnetoresistivity data indicate some weak interactions between isolated bismuth fragments in Bi{sub 4}I{submore » 4}.« less

Authors:
 [1];  [2];  [3];  [2];  [4];  [2];  [3];  [1]
  1. Department of Chemistry, Moscow State University, 119992 Leninskie Gory 1-3, GSP-2, Moscow (Russian Federation)
  2. Department of Physics, Moscow State University, 119992 Leninskie Gory 1-2, GSP-2, Moscow (Russian Federation)
  3. Department of Chemistry, Royal Institute of Technology, S-100 44 Stockholm (Sweden)
  4. Department of Chemistry, Moscow State University, 119992 Leninskie Gory 1-3, GSP-2, Moscow (Russian Federation), E-mail: alexei@inorg.chem.msu.ru
Publication Date:
OSTI Identifier:
21015752
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 180; Journal Issue: 3; Other Information: DOI: 10.1016/j.jssc.2007.01.010; PII: S0022-4596(07)00027-8; Copyright (c) 2007 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANISOTROPY; BISMUTH BROMIDES; BISMUTH IODIDES; CRYSTAL GROWTH; ELECTRONIC STRUCTURE; HALL EFFECT; MAGNETIC PROPERTIES; MAGNETIZATION; MAGNETORESISTANCE; MONOCRYSTALS; SEMICONDUCTOR MATERIALS; TEMPERATURE RANGE 0273-0400 K; WEAK INTERACTIONS

Citation Formats

Filatova, T.G., Gurin, P.V., Kloo, L., Kulbachinskii, V.A., Kuznetsov, A.N., Kytin, V.G., Lindsjo, M., and Popovkin, B.A. Electronic structure, galvanomagnetic and magnetic properties of the bismuth subhalides Bi{sub 4}I{sub 4} and Bi{sub 4}Br{sub 4}. United States: N. p., 2007. Web. doi:10.1016/j.jssc.2007.01.010.
Filatova, T.G., Gurin, P.V., Kloo, L., Kulbachinskii, V.A., Kuznetsov, A.N., Kytin, V.G., Lindsjo, M., & Popovkin, B.A. Electronic structure, galvanomagnetic and magnetic properties of the bismuth subhalides Bi{sub 4}I{sub 4} and Bi{sub 4}Br{sub 4}. United States. doi:10.1016/j.jssc.2007.01.010.
Filatova, T.G., Gurin, P.V., Kloo, L., Kulbachinskii, V.A., Kuznetsov, A.N., Kytin, V.G., Lindsjo, M., and Popovkin, B.A. Thu . "Electronic structure, galvanomagnetic and magnetic properties of the bismuth subhalides Bi{sub 4}I{sub 4} and Bi{sub 4}Br{sub 4}". United States. doi:10.1016/j.jssc.2007.01.010.
@article{osti_21015752,
title = {Electronic structure, galvanomagnetic and magnetic properties of the bismuth subhalides Bi{sub 4}I{sub 4} and Bi{sub 4}Br{sub 4}},
author = {Filatova, T.G. and Gurin, P.V. and Kloo, L. and Kulbachinskii, V.A. and Kuznetsov, A.N. and Kytin, V.G. and Lindsjo, M. and Popovkin, B.A.},
abstractNote = {Two bismuth-rich subhalides, Bi{sub 4}Br{sub 4} and Bi{sub 4}I{sub 4}, featuring extended quasi one-dimensional metallic fragments in their structures, have been investigated. The gas-phase technique of crystal growth has been refined for obtaining large (up to 5 mm long) single crystals. Electronic structure calculations on three-dimensional structures of both compounds have been performed (DFT level, hybrid B3LYP functional), predicting a semiconducting behavior for both compounds, with an indication of possible directional anisotropy of electric conductivity. Galvanomagnetic (resistance, magnetoresistance, Hall effect, thermopower) and magnetic (temperature and field dependence of magnetization) properties have been measured experimentally. Both compounds are found to be diamagnetic, room-temperature semiconductors with n-type conductivity. While Bi{sub 4}Br{sub 4} demonstrates a typical case of one dimensionality, the difference in magnetoresistivity between Bi{sub 4}Br{sub 4} and Bi{sub 4}I{sub 4} indicates some weak interactions between isolated bismuth metallic fragments within the bismuth substructures. - Graphical abstract: Quasi one-dimensional compounds Bi{sub 4}Br{sub 4} and Bi{sub 4}I{sub 4} have been investigated theoretically (electronic structure calculations) and experimentally (galvanomagnetic and magnetic measurements). Both compounds are found to be diamagnetic, room-temperature semiconductors with n-type conductivity and a possibility of significant directional anisotropy. Magnetoresistivity data indicate some weak interactions between isolated bismuth fragments in Bi{sub 4}I{sub 4}.},
doi = {10.1016/j.jssc.2007.01.010},
journal = {Journal of Solid State Chemistry},
number = 3,
volume = 180,
place = {United States},
year = {Thu Mar 15 00:00:00 EDT 2007},
month = {Thu Mar 15 00:00:00 EDT 2007}
}