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Title: Synthesis, Crystal and Electronic Structure of Layered AMSb Compounds ( A = Rb, Cs; M = Zn, Cd): Synthesis, Crystal and Electronic Structure of Layered AM Sb Compounds ( A = Rb, Cs; M = Zn, Cd)

Abstract

Synthesis, crystal structure, thermal stability, and electronic band structure of four new metal antimonides AMSb (A = Rb, Cs; M = Zn, Cd) are reported. CsZnSb and RbZnSb crystallize in the hexagonal ZrBeSi structure type, in a P6 3/mmc space group (no. 194, Z = 2) and unit cell dimensions of a = 4.5588(2)/4.5466(4) Å and c = 11.9246(6)/11.0999(10) Å. CsCdSb and RbCdSb crystallize in the tetragonal PbFCl structure type in a P4/nmm space group (no. 129; Z = 2) and unit cell parameters of a = 4.8884(5)/4.8227(3) Å and c = 8.8897(9)/8.5492(7) Å. All four compounds are air- and water-sensitive and are shown through DSC measurements to decompose between 975 K and 1060 K. Analysis of the calculated electronic band structure shows that the Zn-containing antimonides are topologically trivial narrow bandgap semiconductors, whereas Cd-containing compounds exhibit a band inversion along Γ-Z direction.

Authors:
 [1];  [2];  [1];  [1]
  1. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
  2. Ames Lab., Ames, IA (United States)
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1597465
Report Number(s):
IS-J-10146
Journal ID: ISSN 0044-2313; ZAAC
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Accepted Manuscript
Journal Name:
Zeitschrift fuer Anorganische und Allgemeine Chemie
Additional Journal Information:
Journal Name: Zeitschrift fuer Anorganische und Allgemeine Chemie; Journal ID: ISSN 0044-2313
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Owens-Baird, Bryan, Wang, Lin-Lin, Lee, Shannon, and Kovnir, Kirill. Synthesis, Crystal and Electronic Structure of Layered AMSb Compounds ( A = Rb, Cs; M = Zn, Cd): Synthesis, Crystal and Electronic Structure of Layered AM Sb Compounds ( A = Rb, Cs; M = Zn, Cd). United States: N. p., 2020. Web. doi:10.1002/zaac.201900284.
Owens-Baird, Bryan, Wang, Lin-Lin, Lee, Shannon, & Kovnir, Kirill. Synthesis, Crystal and Electronic Structure of Layered AMSb Compounds ( A = Rb, Cs; M = Zn, Cd): Synthesis, Crystal and Electronic Structure of Layered AM Sb Compounds ( A = Rb, Cs; M = Zn, Cd). United States. doi:10.1002/zaac.201900284.
Owens-Baird, Bryan, Wang, Lin-Lin, Lee, Shannon, and Kovnir, Kirill. Wed . "Synthesis, Crystal and Electronic Structure of Layered AMSb Compounds ( A = Rb, Cs; M = Zn, Cd): Synthesis, Crystal and Electronic Structure of Layered AM Sb Compounds ( A = Rb, Cs; M = Zn, Cd)". United States. doi:10.1002/zaac.201900284.
@article{osti_1597465,
title = {Synthesis, Crystal and Electronic Structure of Layered AMSb Compounds ( A = Rb, Cs; M = Zn, Cd): Synthesis, Crystal and Electronic Structure of Layered AM Sb Compounds ( A = Rb, Cs; M = Zn, Cd)},
author = {Owens-Baird, Bryan and Wang, Lin-Lin and Lee, Shannon and Kovnir, Kirill},
abstractNote = {Synthesis, crystal structure, thermal stability, and electronic band structure of four new metal antimonides AMSb (A = Rb, Cs; M = Zn, Cd) are reported. CsZnSb and RbZnSb crystallize in the hexagonal ZrBeSi structure type, in a P63/mmc space group (no. 194, Z = 2) and unit cell dimensions of a = 4.5588(2)/4.5466(4) Å and c = 11.9246(6)/11.0999(10) Å. CsCdSb and RbCdSb crystallize in the tetragonal PbFCl structure type in a P4/nmm space group (no. 129; Z = 2) and unit cell parameters of a = 4.8884(5)/4.8227(3) Å and c = 8.8897(9)/8.5492(7) Å. All four compounds are air- and water-sensitive and are shown through DSC measurements to decompose between 975 K and 1060 K. Analysis of the calculated electronic band structure shows that the Zn-containing antimonides are topologically trivial narrow bandgap semiconductors, whereas Cd-containing compounds exhibit a band inversion along Γ-Z direction.},
doi = {10.1002/zaac.201900284},
journal = {Zeitschrift fuer Anorganische und Allgemeine Chemie},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {1}
}

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