The effect of phase transition of crednerite/delafossite CuMn 1‐x Cr x O 2 on optical, thermal, and power factor properties

AbstractWe investigate temperature, pressure, and localization dependence of thermoelectric properties, phonon and de Haas–van Alphen (dHvA) frequencies of the anti-ferromagnetic (AFM) CeIn$$_3$$ 3 using density functional theory (DFT) and local, hybrid, and band correlated functionals. It is found that the maximum values of thermopower, power factor, and electronic figure of merit of this compound occur at low (high) temperatures provided that the 4f-Ce electrons are (not) localized enough. The maximum values of the thermopower, power factor, electronic figure of merit (conductivity parameters), and their related doping levels (do not) considerably depend on the localization degree and pressure. The effects of pressure on these parameters substantially depend on the degree of localization. The phonon frequencies are calculated to be real which shows that the crystal is dynamically stable. From the phonon band structure, the thermal conductivity is predicted to be homogeneous. This prediction is found consistent with the thermal conductivity components calculated along three Cartesian directions. In analogous to the thermoelectric properties, it is found that the dHvA frequencies also depend on both pressure and localization degree. To ensure that the phase transition at Néel temperature cannot remarkably affect the results, we verify the density of states (DOS) of the compound at the paramagnetic phase constructing a non-collinear magnetic structure where the angles of the spins are determined so that the resultant magnetic moment vanishes. The non-collinear results reveal that the DOS and whence the thermoelectric properties of the compound are not changed considerably by the phase transition. To validate the accuracy of the results, the total and partial DOSs are recalculated using DFT plus dynamical mean-field theory (DFT+DMFT). The DFT+DMFT DOSs, in agreement with the hybrid DOSs, predict the Kondo effect in this compound.

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Suppressing Ge-vacancies to Achieve High Single-Leg Efficiency in GeTe with Ultra-High Room Temperature Power Factor

Journal of Materials Chemistry A ◽

10.1039/d1ta05866e ◽

2021 ◽

Author(s):

Ning Jia ◽

Cao Jing ◽

Xian Yi Tan ◽

Jie Zheng ◽

Sheauwei Chien ◽

...

Keyword(s):

Phase Transition ◽

Thermal Conductivity ◽

Power Factor ◽

High Performance ◽

Room Temperature ◽

Lattice Thermal Conductivity ◽

Medium Temperature ◽

Peierls Distortion

GeTe is among the best medium-temperature thermoelectrics. Its high performance originates from band convergence at phase transition and low lattice thermal conductivity due to Peierls distortion. In most works, the...

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Microstructure of laser-irradiated, conducting Kapton polyimide

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100138889 ◽

1995 ◽

Vol 53 ◽

pp. 502-503

Author(s):

D. L. Callahan ◽

Z. Ball ◽

H. M. Phillips ◽

R. Sauerbrey

Keyword(s):

Electron Microscopy ◽

Phase Transition ◽

Transmission Electron Microscopy ◽

Cross Section ◽

Film Surface ◽

Cross Sectional ◽

General Utility ◽

Transmission Electron ◽

Considerable Debate ◽

Potential Applications

Ultraviolet laser-irradiation can be used to induce an insulator-to-conductor phase transition on the surface of Kapton polyimide. Such structures have potential applications as resistors or conductors for VLSI applications as well as general utility electrodes. Although the percolative nature of the phase transformation has been well-established, there has been little definitive work on the mechanism or extent of transformation. In particular, there has been considerable debate about whether or not the transition is primarily photothermal in nature, as we propose, or photochemical. In this study, cross-sectional optical microscopy and transmission electron microscopy are utilized to characterize the nature of microstructural changes associated with the laser-induced pyrolysis of polyimide.Laser-modified polyimide samples initially 12 μm thick were prepared in cross-section by standard ultramicrotomy. Resulting contraction in parallel to the film surface has led to distortions in apparent magnification. The scale bars shown are calibrated for the direction normal to the film surface only.

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The structure of membranes and membrane proteins embedded in amorphous ice

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100122563 ◽

1992 ◽

Vol 50 (1) ◽

pp. 432-433

Author(s):

Uwe Lücken ◽

Joachim Jäger

Keyword(s):

Phase Transition ◽

Transition Temperature ◽

Membrane Proteins ◽

Phase Transition Temperature ◽

Lipid Vesicles ◽

Freezing Stress ◽

Amorphous Ice ◽

Different Temperatures ◽

Band Pass ◽

Lipid Polymorphism

TEM imaging of frozen-hydrated lipid vesicles has been done by several groups Thermotrophic and lyotrophic polymorphism has been reported. By using image processing, computer simulation and tilt experiments, we tried to learn about the influence of freezing-stress and defocus artifacts on the lipid polymorphism and fine structure of the bilayer profile. We show integrated membrane proteins do modulate the bilayer structure and the morphology of the vesicles.Phase transitions of DMPC vesicles were visualized after freezing under equilibrium conditions at different temperatures in a controlled-environment vitrification system. Below the main phase transition temperature of 24°C (Fig. 1), vesicles show a facetted appearance due to the quasicrystalline areas. A gradual increase in temperature leads to melting processes with different morphology in the bilayer profile. Far above the phase transition temperature the bilayer profile is still present. In the band-pass-filtered images (Fig. 2) no significant change in the width of the bilayer profile is visible.

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Electron Microscope study of commensurate-incommensurate phase transition in BaZnGeO4

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100173996 ◽

1990 ◽

Vol 48 (4) ◽

pp. 172-173

Author(s):

Naoki Yamamoto ◽

Makoto Kikuchi ◽

Tooru Atake ◽

Akihiro Hamano ◽

Yasutoshi Saito

Keyword(s):

Phase Transition ◽

Electron Microscope Study ◽

Room Temperature ◽

Hexagonal Lattice ◽

Ferroelectric Materials ◽

Temperature Phase ◽

X Ray Diffraction ◽

X Ray ◽

Periodic Arrays ◽

Modulation Wave Vector

BaZnGeO4 undergoes many phase transitions from I to V phase. The highest temperature phase I has a BaAl2O4 type structure with a hexagonal lattice. Recent X-ray diffraction study showed that the incommensurate (IC) lattice modulation appears along the c axis in the III and IV phases with a period of about 4c, and a commensurate (C) phase with a modulated period of 4c exists between the III and IV phases in the narrow temperature region (—58°C to —47°C on cooling), called the III' phase. The modulations in the IC phases are considered displacive type, but the detailed structures have not been studied. It is also not clear whether the modulation changes into periodic arrays of discommensurations (DC’s) near the III-III' and IV-V phase transition temperature as found in the ferroelectric materials such as Rb2ZnCl4.At room temperature (III phase) satellite reflections were seen around the fundamental reflections in a diffraction pattern (Fig.1) and they aligned along a certain direction deviated from the c* direction, which indicates that the modulation wave vector q tilts from the c* axis. The tilt angle is about 2 degree at room temperature and depends on temperature.

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Dynamic low-dose electron diffraction and imaging of phase transitions in polymers

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100150289 ◽

1993 ◽

Vol 51 ◽

pp. 890-891

Author(s):

David C. Martin ◽

Jun Liao

Keyword(s):

Crystal Structure ◽

Phase Transition ◽

Electron Diffraction ◽

Low Dose ◽

Dark Field ◽

Continuous Change ◽

Selected Area Electron Diffraction ◽

Resolution Electron ◽

Chain Axis ◽

High Resolution Electron Micrographs

By careful control of the electron beam it is possible to simultaneously induce and observe the phase transformation from monomer to polymer in certain solid-state polymcrizable diacetylenes. The continuous change in the crystal structure from DCHD diacetylene monomer (a=1.76 nm, b=1.36 nm, c=0.455 nm, γ=94 degrees, P2l/c) to polymer (a=1.74 nm, b=1.29 nm, c=0.49 nm, γ=108 degrees, P2l/c) occurs at a characteristic dose (10−4C/cm2) which is five orders of magnitude smaller than the critical end point dose (20 C/cm2). Previously we discussed the progress of this phase transition primarily as observed down the [001] zone (the chain axis direction). Here we report on the associated changes of the dark field (DF) images and selected area electron diffraction (SAED) patterns of the crystals as observed from the side (i.e., in the [hk0] zones).High resolution electron micrographs (HREM), DF images, and SAED patterns were obtained on a JEOL 4000 EX HREM operating at 400 kV.

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