Optical, electronic, and elastic properties of some A5B6C7ferroelectrics (A=Sb, Bi; B=S, Se; C=I, Br, Cl): First principle calculation

Koç, Hüsnü; Palaz, Selamı; Mamedov, Amirullah M.; Özbay, Ekmel

doi:10.1080/00150193.2017.1332967

Cited by 13 publications

(6 citation statements)

References 63 publications

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“…The derived value of the bulk modulus characterizes SbTeI as soft material, GPa. This value is also in a good agreement with the data for ternary bismuth tellurohalides [18,47].…”

Section: Resultssupporting

confidence: 90%

“…Such an arrangement has strong anisotropic properties and a rather brittle nature, which can be easily observed by mechanical pressing of the sample. The calculated universal anisotropy index, A U , gives the value of 1.85 indicating strong anisotropy as well [18]. For comparison, BiTeI has A U = 0.37 and A U = 0 represents locally isotropic crystals.…”

Section: Resultsmentioning

confidence: 99%

“…In the literature, there are only a few studies dealing with crystal structure of SbTeI and their results are quite different. This causes confusion, for example, when performing theoretical ab-initio calculations [10,[16][17][18]. Initially, it was announced that the structure may adopt the orthorhombic or even the lowest triclinic symmetry [19][20][21].…”

Section: Introductionmentioning

confidence: 99%

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On the structure of SbTeI

Sereika

Žaltauskas

Varnagiris

et al. 2022

Journal of Applied Physics

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Antimony telluroiodide (SbTeI) is predicted to be a promising material in many technological applications based on theoretical simulations; however, the bulk structure solution remains elusive. We consolidate SbTeI belonging to the base-centered monoclinic lattice with a space group C 2/ m by combining single crystal x-ray diffraction and x-ray photoemission spectroscopy techniques. The atomic arrangement of the reported crystal structure is remarkable with one-dimensional double-chains forming two-dimensional blocks. In this structure, the Sb3+ ion is surrounded by Te2− and I−, which is distinguishable by an incomplete polyhedron resulting in 5s2 (Sb) lone pair electrons in the valence band. Manipulation of this material with pressure to induce novel structures and properties is highly anticipated.

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“…The derived value of the bulk modulus characterizes SbTeI as soft material, GPa. This value is also in a good agreement with the data for ternary bismuth tellurohalides [18,47].…”

Section: Resultssupporting

confidence: 90%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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On the structure of SbTeI

Sereika

Žaltauskas

Varnagiris

et al. 2022

Journal of Applied Physics

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“…These results are consistent with the available data. 37,[44][45][46][47][48] The fourth and fifth columns in Table S1 (ESI †) show the bond lengths d1 of A-B (Sb/Bi-Se/Te) and d2 of A-C (Sb/Bi-Br/I), respectively. We can find that these bond lengths depend on the variety of elements and the larger atomic number brings the longer bond.…”

Section: Resultsmentioning

confidence: 99%

“…[34][35][36] For example, Koc et al systematically studied the electronic structure, and optical and elastic features of A V B VI C VII (A = Bi, Sb; B = S, Se, Te; C = I; Br; Cl). 37 Kong et al showed that tensile strain could improve the structural stability, electron hopping ability, and photocatalytic properties of the BiOI{001} monolayer. 38 A strong RSS was also observed in SbTeI and BiTeI, suggesting that they were very promising for wide applications in nanoelectronics and spintronics.…”

Section: Introductionmentioning

confidence: 99%

A study of the Rashba effect in two-dimensional ternary compounds ABC monolayers (A = Sb, Bi; B = Se, Te; C = Br; I)

et al. 2023

Phys. Chem. Chem. Phys.

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Growth of BiSBr Microsheet Arrays for Enhanced Photovoltaics Performance

Li,

Huang,

Ding

et al. 2023

Small

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In this study, single‐crystalline BiSBr is synthesized using a solution‐based approach and conducted a systematic characterization of its photoelectric properties and photovoltaic performances. UV photoelectron spectroscopy and density functional theory (DFT) calculations reveal that BiSBr is an indirect p‐type semiconductor, characterized by distinct positions and compositions of the valence band maximum and conduction band minimum. The BiSBr single crystal microrod features a significant electrical conductivity of 14 800 S m−1 along the c‐axis, denoting minimal carrier resistance in this direction. For photovoltaic performance assessment, the authors successfully fabricated two homogeneous BiSBr films on TiO2 porous substrates: A microsheet array film via physical vapor deposition (PVD) and solvothermal treatment, and a BiSBr microsheet film via PVD and thermal treatment. The solar cell, comprising a BiSBr microsheet array film with an architecture of fluorine‐doped tin oxide FTO/TiO2/BiSBr/(I3−/I−)/Pt, demonstrated a power conversation efficiency of 1.40%, ≈11 times that of BiSBr microsheet film counterpart. These preliminary results underscore the potential of BiSBr microsheet arrays, producible through low‐cost solution processes, as adept light absorbers, enhancing photovoltaic efficiency through effective light scattering and promoting efficient electron‐hole separation and transport.

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Optical, electronic, and elastic properties of some A⁵B⁶C⁷ferroelectrics (A=Sb, Bi; B=S, Se; C=I, Br, Cl): First principle calculation

Cited by 13 publications

References 63 publications

On the structure of SbTeI

On the structure of SbTeI

A study of the Rashba effect in two-dimensional ternary compounds ABC monolayers (A = Sb, Bi; B = Se, Te; C = Br; I)

Growth of BiSBr Microsheet Arrays for Enhanced Photovoltaics Performance

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