Electron diffraction study of the phase formation of Tl-Fe-Se and kinetics of phase transformations of films TlFeSe2

Asgerov, E. B.; Madadzada, A. I.; Ismayilov, D. I.; Mehdiyeva, R. N.

doi:10.1134/s1063782614110037

Cited by 5 publications

(3 citation statements)

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“…Analysis of the neutron diffraction data showed that the investigated compounds feature a monoclinic crystal structure with the C2/m symmetry over the entire temperature range. The unit cell parameters calculated from the diffraction data under normal conditions are a = 11.646(1) Å, b = 5.308(2) Å, c = 6.831(3) Å, β = 116.7°, Z = 4, and V = 377.14(6) Å 3 for TlFeS 2 and a = 11.998(1) Å, b = 5.498(9) Å, c = 7.108(8) Å, β = 118.2°, Z = 4, and V = 413.22(6) Å 3 for TlFeSe 2 , which are in good agreement with the results reported in [13][14][15][16].…”

Section: Methodssupporting

confidence: 90%

Magnetic structure of TlFeS2 and TlFeSe2 chalcogenides

et al. 2015

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The crystal and magnetic structures of TlFeS 2 and TlFeSe 2 chalcogenides are studied by neutron diffraction in the temperature range 10-300 K. The investigated compounds feature monoclinic crystal sym metry with the C2/m space group. Antiferromagnetic ordering occurs in TlFeS 2 and TlFeSe 2 at the Néel tem perature T N = 210(5) and 295(5) K, respectively. The temperature dependences of magnetic moments, Fe-Fe bond lengths, and unit cell volume are established. The coefficients of thermal expansion for the paramag netic and antiferromagnetic phases are calculated.

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Section: Methodssupporting

confidence: 90%

Magnetic structure of TlFeS2 and TlFeSe2 chalcogenides

et al. 2015

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“…To identify the optimal conditions for the process of phase formation in the systems Cu 2 Te−In 2 Te 3 and Cu−In−Te in the ratios Cu : In : Te = 1 : 5 : 8 and establishing the shortrange atomic order in amorphous CuIn 5 Te 8 we used the film encapsulation technique used in the works [6][7][8].…”

Section: Experimental Methodsmentioning

confidence: 99%

Electron Diffraction Study of Phase Formation in Nano Layers of Cu-=SUB=-2-=/SUB=-Te-In-=SUB=-2-=/SUB=-Te-=SUB=-3-=/SUB=-, Cu-In-Te Systems and Short-Range Atomic Order in Amorphous CuIn-=SUB=-5-=/SUB=-Te-=SUB=-8-=/SUB=- Films

2022

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It is shown that with the simultaneous and sequential deposition of films of the Cu2Te-In2Te3 system, as well as copper, indium, and tellurium of the highest purity used as starting materials, ~99.999%, taken in the ratio Cu : In : Te = 1 : 5 : 8, regardless of the deposition order ternary compounds of the compositions CuInTe2, CuIn3Te5, and CuIn5Te8 in the crystalline state are distinguished. During vacuum condensation of films on single-crystal substrates NaCl, KCl and amorphous celluloid cooled by liquid nitrogen to 203 K, the resulting films obtained both by co-evaporation of binary compounds of the Cu2Te-In2Te3 system and by the synthesis of thin layers applied by Cu, In, Te are amorphous. For the first time in nanosized amorphous films of the composition CuIn5Te8, crystallizing in the tetragonal system with the periods of unit cells a=6.162 Angstrem, c=12.291 Angstrem, obtained both under normal conditions and under the influence of an external electric field with a strength of 500 V · cm-1, the structure of the short-range atomic order is established --- the number of nearest neighbors --- coordination numbers and radius of coordination spheres. It was revealed that in amorphous CuIn5Te8 films obtained under the influence of an external electric field, in which the matrices consist of tetrahedral and octahedral environments of atoms, in opposite to films that are formed outside the field, the number of nearest neighbors remains unchanged, the radius of coordination spheres and interatomic distances are somewhat are shortened. Keywords: phase formation, elektronogram, radial distribution function of atoms (RDFA), coherent electron scattering.

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“…The details of crystal structure parameters are shown in table 1. [18,23,28], the predicted magnetic moment which is sensitive to lattice constants are of significant difference. Magnetic moment of Fe ion optimized by PBEsol (2.46 μ B ) is closer to the experimental measurement (∼2.2 μ B ) [3] than by PBE (2.77 μ B ).…”

Section: Calculation Detailsmentioning

confidence: 96%

Structural, electronic and magnetic properties of TlFeSe₂ under high pressure

Zhang

Zhao

Niu

et al. 2021

J. Phys.: Condens. Matter

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The high-pressure (HP) properties of TlFeSe 2 are investigated based on the first-principles calculations combined with structure-searching method. The low-pressure C2/m phase will transform into the orthorhombic Pnma phase at 2 GPa, with 8% volume collapse, the insulator-metal transition and the bicollinear antiferromagnetic-to-nonmagnetic spin-crossover. At pressure higher than 8 GPa, the HP C2/m phase will become the ground state. Both Pnma phase and HP C2/m phase are constituted by one-dimensional chains of edge-sharing FeSe 5 tetragonal pyramids. Pressuring decrease the Se-Se bond length giving rise to the transition from [Se 2 ] 3− to [Se 2 ] 2− . Negative charge transfer causes the Fe 2+ with ∼2 μ B magnetic moment at ambient pressure and the nonmagnetic Fe 1.5+ at higher pressure. The Fermi surfaces of HP phases are also discussed.

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Electron diffraction study of the phase formation of Tl-Fe-Se and kinetics of phase transformations of films TlFeSe2

Cited by 5 publications

References 5 publications

Magnetic structure of TlFeS2 and TlFeSe2 chalcogenides

Magnetic structure of TlFeS2 and TlFeSe2 chalcogenides

Electron Diffraction Study of Phase Formation in Nano Layers of Cu-=SUB=-2-=/SUB=-Te-In-=SUB=-2-=/SUB=-Te-=SUB=-3-=/SUB=-, Cu-In-Te Systems and Short-Range Atomic Order in Amorphous CuIn-=SUB=-5-=/SUB=-Te-=SUB=-8-=/SUB=- Films

Structural, electronic and magnetic properties of TlFeSe₂ under high pressure

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Electron diffraction study of the phase formation of Tl-Fe-Se and kinetics of phase transformations of films TlFeSe2

Cited by 5 publications

References 5 publications

Magnetic structure of TlFeS2 and TlFeSe2 chalcogenides

Magnetic structure of TlFeS2 and TlFeSe2 chalcogenides

Electron Diffraction Study of Phase Formation in Nano Layers of Cu-=SUB=-2-=/SUB=-Te-In-=SUB=-2-=/SUB=-Te-=SUB=-3-=/SUB=-, Cu-In-Te Systems and Short-Range Atomic Order in Amorphous CuIn-=SUB=-5-=/SUB=-Te-=SUB=-8-=/SUB=- Films

Structural, electronic and magnetic properties of TlFeSe2 under high pressure

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Structural, electronic and magnetic properties of TlFeSe₂ under high pressure