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Title: Cr2.37Ga3Se8: A Quasi-Two-Dimensional Magnetic Semiconductor

Abstract

We present a novel magnetic semiconductor, Cr2.37Ga3Se8, synthesized by partially replacing magnetic Cr3+ in antiferromagnetic Cr5+δSe8 with nonmagnetic Ga3+. The crystal structure of Cr2.37Ga3Se8 was determined by both powder and single-crystal X-ray diffraction. The title compound crystallizes in a monoclinic structure with space group C2/m (No. 12). In Cr2.37Ga3Se8, the Cr atoms are surrounded by 6 Se atoms and form filled octahedral clusters, while Ga atoms are centered in the Se4 tetrahedral clusters. The two kinds of clusters pack alternatingly along the c-axis, which results in a quasi-two-dimensional layered structure. The magnetization (M) measurement shows the development of short-range ferromagnetic coupling below the Curie-Weiss (CW) temperature θCW ~ 92 K, evidenced by the nonlinear field dependence of M. However, the magnetic susceptibility exhibits a peak at low fields at ~18 K, indicating the existence of an antiferromagnetic interaction as well. Electronic structure calculations using the WIEN2k program in the local spin density approximation indicate that the magnetism arises exclusively from local moments of the Cr atoms. Here, the electrical resistivity measurement of the Cr2.37Ga3Se8 sample confirms that this material is a semiconductor with the band gap ~0.26 eV. Meanwhile, the experimental band gap (~0.26 eV) is close to the theoreticalmore » prediction using the WIEN2k program (~0.35 eV).« less

Authors:
 [1];  [1];  [2];  [1];  [1];  [2];  [1]; ORCiD logo [1]
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  1. Louisiana State University, Baton Rouge, LA (United States)
  2. University of Hawai’i at Manoa, Honolulu, HI (United States)
Publication Date:
Research Org.:
Louisiana State Univ., Baton Rouge, LA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1673400
Grant/Contract Number:  
SC0012432
Resource Type:
Accepted Manuscript
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 57; Journal Issue: 22; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Magnetic properties; Physical and chemical processes; Semiconductors; Cluster chemistry; Crystal structure; Magnetic semiconductor; Quasi-2D materials; Spin canting

Citation Formats

Zhou, Yazhou, Xing, Lingyi, Finkelstein, Gregory J., Gui, Xin, Marshall, Madalynn G., Dera, Przemyslaw, Jin, Rongying, and Xie, Weiwei. Cr2.37Ga3Se8: A Quasi-Two-Dimensional Magnetic Semiconductor. United States: N. p., 2018. Web. doi:10.1021/acs.inorgchem.8b02384.
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Zhou, Yazhou, Xing, Lingyi, Finkelstein, Gregory J., Gui, Xin, Marshall, Madalynn G., Dera, Przemyslaw, Jin, Rongying, & Xie, Weiwei. Cr2.37Ga3Se8: A Quasi-Two-Dimensional Magnetic Semiconductor. United States. https://doi.org/10.1021/acs.inorgchem.8b02384
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Zhou, Yazhou, Xing, Lingyi, Finkelstein, Gregory J., Gui, Xin, Marshall, Madalynn G., Dera, Przemyslaw, Jin, Rongying, and Xie, Weiwei. Mon . "Cr2.37Ga3Se8: A Quasi-Two-Dimensional Magnetic Semiconductor". United States. https://doi.org/10.1021/acs.inorgchem.8b02384. https://www.osti.gov/servlets/purl/1673400.
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@article{osti_1673400,
title = {Cr2.37Ga3Se8: A Quasi-Two-Dimensional Magnetic Semiconductor},
author = {Zhou, Yazhou and Xing, Lingyi and Finkelstein, Gregory J. and Gui, Xin and Marshall, Madalynn G. and Dera, Przemyslaw and Jin, Rongying and Xie, Weiwei},
abstractNote = {We present a novel magnetic semiconductor, Cr2.37Ga3Se8, synthesized by partially replacing magnetic Cr3+ in antiferromagnetic Cr5+δSe8 with nonmagnetic Ga3+. The crystal structure of Cr2.37Ga3Se8 was determined by both powder and single-crystal X-ray diffraction. The title compound crystallizes in a monoclinic structure with space group C2/m (No. 12). In Cr2.37Ga3Se8, the Cr atoms are surrounded by 6 Se atoms and form filled octahedral clusters, while Ga atoms are centered in the Se4 tetrahedral clusters. The two kinds of clusters pack alternatingly along the c-axis, which results in a quasi-two-dimensional layered structure. The magnetization (M) measurement shows the development of short-range ferromagnetic coupling below the Curie-Weiss (CW) temperature θCW ~ 92 K, evidenced by the nonlinear field dependence of M. However, the magnetic susceptibility exhibits a peak at low fields at ~18 K, indicating the existence of an antiferromagnetic interaction as well. Electronic structure calculations using the WIEN2k program in the local spin density approximation indicate that the magnetism arises exclusively from local moments of the Cr atoms. Here, the electrical resistivity measurement of the Cr2.37Ga3Se8 sample confirms that this material is a semiconductor with the band gap ~0.26 eV. Meanwhile, the experimental band gap (~0.26 eV) is close to the theoretical prediction using the WIEN2k program (~0.35 eV).},
doi = {10.1021/acs.inorgchem.8b02384},
journal = {Inorganic Chemistry},
number = 22,
volume = 57,
place = {United States},
year = {Mon Oct 22 00:00:00 EDT 2018},
month = {Mon Oct 22 00:00:00 EDT 2018}
}
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https://doi.org/10.1021/acs.inorgchem.8b02384
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Figures / Tables:

Table 1 Table 1: Single crystal refined data for Cr2.37Ga3Se8. 
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