Coexistence of monochalocogen and dichalocogen ions in BiSe2 and BiS2 crystals prepared at high pressure

Ayako Yamamoto, Daisuke Hashizume, Mohammad Saeed Bahramy, Yoshinori Tokura

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2 Citations (Scopus)

Abstract

A single crystal of bismuth diselenide, BiSe2, containing both monochalcogen (Se2-) and dichalcogen (Se22-) ions, was prepared at a high pressure of 5.5 GPa. Its crystal structure, substitution chemistry, and physical properties were investigated. X-ray analysis showed that BiSe2 is in a monoclinic system (space group C2/m) with the following lattice parameters: a = 16.740(3) Å, b = 4.1410(11) Å, c = 12.027(3) Å, and β = 127.658(13)°. A crystal structure of BiSe2 can be viewed as a layered structure with stacks of neutral BiSe2 blocks along the c-axis, or alternatively as a quasi-one-dimensional structure with double chains of BiSe5 pyramids along the b-axis. Each Bi is coordinated with three Se2- ions and two Se22- ions, and the bond valence analysis indicated that Bi was trivalent. BiSe2 and BiS2 form a solid solution in the whole range while retaining the same structure, and the partial substitution of Sb for Bi is also achieved at 10%. All the compounds show a semiconducting property and diamagnetism that can be attributed to the closed-shell ion core. In spite of the compositional analogy with Bi2Se3, BiSe2 is proven by the first-principles calculations not to be a topological insulator.

Original languageEnglish
Pages (from-to)4114-4119
Number of pages6
JournalInorganic Chemistry
Volume54
Issue number8
DOIs
Publication statusPublished - 2015 Apr 20
Externally publishedYes

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Ions
Crystals
crystals
ions
Substitution reactions
Crystal structure
Diamagnetism
substitutes
Bismuth
crystal structure
diamagnetism
X ray analysis
retaining
pyramids
bismuth
Lattice constants
Solid solutions
lattice parameters
solid solutions
Physical properties

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

Cite this

Coexistence of monochalocogen and dichalocogen ions in BiSe2 and BiS2 crystals prepared at high pressure. / Yamamoto, Ayako; Hashizume, Daisuke; Bahramy, Mohammad Saeed; Tokura, Yoshinori.

In: Inorganic Chemistry, Vol. 54, No. 8, 20.04.2015, p. 4114-4119.

Research output: Contribution to journalArticle

Yamamoto, Ayako ; Hashizume, Daisuke ; Bahramy, Mohammad Saeed ; Tokura, Yoshinori. / Coexistence of monochalocogen and dichalocogen ions in BiSe2 and BiS2 crystals prepared at high pressure. In: Inorganic Chemistry. 2015 ; Vol. 54, No. 8. pp. 4114-4119.
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abstract = "A single crystal of bismuth diselenide, BiSe2, containing both monochalcogen (Se2-) and dichalcogen (Se22-) ions, was prepared at a high pressure of 5.5 GPa. Its crystal structure, substitution chemistry, and physical properties were investigated. X-ray analysis showed that BiSe2 is in a monoclinic system (space group C2/m) with the following lattice parameters: a = 16.740(3) {\AA}, b = 4.1410(11) {\AA}, c = 12.027(3) {\AA}, and β = 127.658(13)°. A crystal structure of BiSe2 can be viewed as a layered structure with stacks of neutral BiSe2 blocks along the c-axis, or alternatively as a quasi-one-dimensional structure with double chains of BiSe5 pyramids along the b-axis. Each Bi is coordinated with three Se2- ions and two Se22- ions, and the bond valence analysis indicated that Bi was trivalent. BiSe2 and BiS2 form a solid solution in the whole range while retaining the same structure, and the partial substitution of Sb for Bi is also achieved at 10{\%}. All the compounds show a semiconducting property and diamagnetism that can be attributed to the closed-shell ion core. In spite of the compositional analogy with Bi2Se3, BiSe2 is proven by the first-principles calculations not to be a topological insulator.",
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