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 language | English |
|---|---|
| Pages (from-to) | 4114-4119 |
| Number of pages | 6 |
| Journal | Inorganic Chemistry |
| Volume | 54 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - 2015 Apr 20 |
| Externally published | Yes |
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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 journal › Article
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TY - JOUR
T1 - Coexistence of monochalocogen and dichalocogen ions in BiSe2 and BiS2 crystals prepared at high pressure
AU - Yamamoto, Ayako
AU - Hashizume, Daisuke
AU - Bahramy, Mohammad Saeed
AU - Tokura, Yoshinori
PY - 2015/4/20
Y1 - 2015/4/20
N2 - 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.
AB - 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.
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U2 - 10.1021/acs.inorgchem.5b00349
DO - 10.1021/acs.inorgchem.5b00349
M3 - Article
VL - 54
SP - 4114
EP - 4119
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 8
ER -