scholarly journals Structural Phase Transition and Related Thermoelectric Properties in Sn Doped AgBiSe2

Crystals ◽  
2021 ◽  
Vol 11 (9) ◽  
pp. 1016
Author(s):  
Xiao-Cun Liu ◽  
Ming-Yan Pan
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Thermoelectric Material ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Complex Structural

AgBiSe2, which exhibits complex structural phase transition behavior, has recently been considered as a potential thermoelectric material due to its intrinsically low thermal conductivity. In this work, we investigate the crystal structure of Sn-doped AgBiSe2 through powder X-ray diffraction and differential scanning calorimetry measurements. A stable cubic Ag1−x/2Bi1−x/2SnxSe2 phase can be obtained at room temperature when the value of x is larger than 0.2. In addition, the thermoelectric properties of Ag1−x/2Bi1−x/2SnxSe2 (x = 0.2, 0.25, 0.3, 0.35) are investigated, revealing that Ag1−x/2Bi1−x/2SnxSe2 compounds are intrinsic semiconductors with a low lattice thermal conductivity. This work provides new insights into the crystal structure adjustment of AgBiSe2 and shows that Ag1−x/2Bi1−x/2SnxSe2 is a potentially lead-free thermoelectric material candidate.

Structural evolution of a Ge-substituted SnSe thermoelectric material with low thermal conductivity

2018 ◽  
Vol 51 (2) ◽  
pp. 337-343 ◽  
Author(s):  
Federico Serrano-Sánchez ◽  
Norbert M. Nemes ◽  
José Luis Martínez ◽  
Oscar Juan-Dura ◽  
Marco Antonio de la Torre ◽  
...  
Keyword(s):  
Phase Transition ◽  
Thermal Conductivity ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Structural Evolution ◽  
Type Structure ◽  
Scanning Calorimetry ◽  
Space Group ◽  
Low Thermal Conductivity ◽  
Structure Space

Thermoelectric materials are expected to become new alternative sources of sustainable energy. Among them, the SnSe intermetallic alloy has been described as an excellent thermoelectric compound, characterized by an extremely low thermal conductivity with maximum performance at the onset of a structural phase transition at 800 K. Recently, novel SnSe derivatives with Ge substitution have been synthesized by a direct arc-melting technique. This produces nanostructured polycrystalline samples that exhibit a record high Seebeck coefficient, anticipating an excellent performance above room temperature. Here, the structural phase transition from a GeS-type structure (space groupPnma) to a TlI-type structure (space groupCmcm) is investigatedin situ vianeutron powder diffraction (NPD) in the temperature range 298–853 K for the selected composition Sn0.8Ge0.2Se. This transition takes place at 803 K, as shown by differential scanning calorimetry. The analysis from the NPD data shows a non-monotonic behaviour of the anisotropic displacement parameters upon entering the domain of theCmcmstructure. The energies of the atomic vibrations have been quantitatively analysed by fitting the temperature-dependent mean-square displacements to Einstein oscillators. The thermal conductivity of Sn0.8Ge0.2Se is as low as 0.35 W m−1 K−1at 773 K, which mostly represents the lattice thermal contribution.

NQR, NMR, and X-ray crystal structure studies of [4-C2H5-C6H4NH3]2MBr4 (M=Zn, Cd)

2018 ◽  
Vol 73 (9) ◽  
pp. 611-616
Author(s):  
Hideta Ishihara ◽  
Hisashi Honda ◽  
Ingrid Svoboda ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Temperature Dependence ◽  
Benzene Ring ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Unit Cell ◽  
Organic Layers ◽  
Nuclear Magnetic Resonance Spectra ◽  
Quadrupole Resonance

AbstractThe crystal structure of [4-C2H5-C6H4NH3]2ZnBr4 (1) has been determined at 150(2) K: triclinic, P1̅, a=724.82(2), b=1194.20(4), c=1322.26(4) pm, α=74.151(3), β=80.887(3), γ=80.434(3)°, and Z=2. There are two crystallographically independent cations in the unit cell of 1: one has its benzene ring perpendicular to the crystallographic a axis of the unit cell and the other one has its benzene ring perpendicular to the c axis. These cations are alternatingly located along the c axis and form organic layers, and the ZnBr4 anions form inorganic layers in between. Zn–Br···H–N hydrogen bonds are formed between cations and anions. In accordance with the crystal structure, four nuclear quadrupole resonance (NQR) lines of 81Br were observed. The temperature dependence of the 81Br NQR frequencies between 77 and 320 K shows a peculiar feature which is not due to a structural phase transition. The measurement of 13C nuclear magnetic resonance spectra at around T=340 K indicates a redistribution of cations. The temperature dependence of 81Br NQR frequencies and differential thermal analysis measurements show that [4-C2H5-C6H4NH3]2CdBr4 (2) undergoes a structural phase transition at around 190 K.

Phase transition in metal–organic complex trans-PtCl2(PEt3)2 under pressure: insights into the molecular and crystal structure

CrystEngComm ◽  
2018 ◽  
Vol 20 (26) ◽  
pp. 3728-3740 ◽  
Author(s):  
Naini Bajaj ◽  
Himal Bhatt ◽  
K. K. Pandey ◽  
H. K. Poswal ◽  
A. Arya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Hydrogen Bond ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Molecular And Crystal Structure ◽  
Supramolecular Architecture ◽  
Organic Complex ◽  
Metal Organic Complex ◽  
Metal Organic

Molecular reorientations result in structural phase transition in trans-PtCl2(PEt3)2 under pressure, leading to a hydrogen bond assisted supramolecular architecture.

A high temperature structural phase transition in crocoite (PbCrO4) at 1068 K: crystal structure refinement at 1073 K and thermal expansion tensor determination at 1000 K

2000 ◽  
Vol 64 (2) ◽  
pp. 291-300 ◽  
Author(s):  
K. S. Knight
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Thermal Expansion ◽  
High Temperature ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Structure Type ◽  
Temperature Phase ◽  
Thermal Expansion Tensor ◽  
Principal Axes

AbstractHigh-resolution, neutron time-of-flight, powder diffraction data have been collected on natural crocoite between 873 and 1073 K. Thermal analysis carried out in the 1920s had suggested that chemically pure PbCrO4 exhibited two structural phase transitions, at 964 K, to the β phase, and at 1056 K, to the γ phase. In this study, no evidence was found for the α-β structural phase transition, however a high-temperature phase transition was found at ∼1068 K from the ambient-temperature monazite structure type to the baryte structure type. The phase transition, close to the temperatures reported for the β to γ phase modifications, is first order and is accompanied by a change in volume of −1.6%. The crystal structure of this phase has been refined using the Rietveld method to agreement factors of Rp = 0.018, Rwp = 0.019, Rp = 0.011. No evidence for premonitory behaviour was found in the temperature dependence of the monoclinic lattice constants rom 873 K to 1063 K and these have been used to determine the thermal expansion tensor of crocoite just below the phase transition. At 1000 K the magnitudes of the tensor coefficients are α11, 2.66(1) × 10−5 K−1; α22, 2.04(1) × 10−5 K−1; α33, 4.67(4) × 10−5 K−1; and α13, −1.80(2) × 10−5 K−1 using the IRE convention for the orientation of the tensor basis. The orientation of the principal axes of the thermal expansion tensor are very close to those reported previously for the temperature range 50–300 K.

scholarly journals Evolution of two-step structural phase transition in Fe1+dTe detected by low-temperature x-ray diffraction

2012 ◽  
Vol 152 (12) ◽  
pp. 1047-1051 ◽  
Author(s):  
Yoshikazu Mizuguchi ◽  
Kentaro Hamada ◽  
Kazuki Goto ◽  
Hiroshi Takatsu ◽  
Hiroaki Kadowaki ◽  
...  
Keyword(s):  
Phase Transition ◽  
Low Temperature ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray
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