The effect of sulfide substitution in the mixed conductor Cu7PSe6

Beeken, R. B.; Hinaus, B. M.

doi:10.1016/j.jpcs.2011.06.001

Cited by 10 publications

(15 citation statements)

References 13 publications

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“…An Arrhenius plot of the data from 425 to 575 K is shown in the inset of Figure 3a. The calculated activation energy of 0.28 ± 0.01 eV is larger compared to the value of 0.17 eV for the high temperature modification and 0.22 eV for the low temperature modifications reported by Beeken et al 19 However, the activation energies are in good agreement since the absolute values are very small. Temperature dependent Hall measurements were performed in order to obtain Hall carrier mobilities μ H and Hall carrier concentrations n H .…”

Section: ■ Introductioncontrasting

confidence: 67%

Thermoelectric Transport in Cu₇PSe₆ with High Copper Ionic Mobility

et al. 2014

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Building on the good thermoelectric performances of binary superionic compounds like Cu2Se, Ag2Se and Cu2S, a better and more detailed understanding of phonon-liquid electron-crystal (PLEC) thermoelectric materials is desirable. In this work we present the thermoelectric transport properties of the compound Cu7PSe6 as the first representative of the class of argyrodite-type ion conducting thermoelectrics. With a huge variety of possible compositions and high ionic conductivity even at room temperature, the argyrodites represent a very good model system to study structure-property relationships for PLEC thermoelectric materials. We particularly highlight the extraordinary low thermal conductivity of Cu7PSe6 below the glass limit, which can be associated with the molten copper sublattice leading to a softening of phonon modes.

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Section: ■ Introductioncontrasting

confidence: 67%

Thermoelectric Transport in Cu₇PSe₆ with High Copper Ionic Mobility

et al. 2014

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“…Thus, the isovalent substitution Se 2by S 2-in Cu7P(Se1-xSx)6 allows the stabilization of the polymorph (γ-modification) with the most promising properties. This conclusion agrees with results of the previous study of the conductivity of solid solution Cu7P(Se1-xSx)6, where the phase transition from the primitive cubic structure P213 to the face-centered one 43 Fm was detected already at room temperature for the sulfur contents x  0.08 [6]. Thus, the face-centered symmetry 43 Fm , realized in Cu7PS6 and Cu7PSe6 crystals and their solid solution, is associated with the temperature-dependent copper ion diffusion, which introduces the structural disorder or leads to amorphization.…”

supporting

confidence: 93%

“…It was found that high room temperature total conductivity of Cu7PSe6,  = 0.4 S/cm, is about 90% due to the electronic component of conductivity [4,5]. The electric conductivity of Cu7PS6 in the temperature range 296 -351 K was measured to be in the range 210 -5 -510 -5 S/cm [3] that is much smaller than that in Cu7PSe6 [6]. Due to the same crystal structure of Cu7PSe6 and Cu7PS6 mentioned above the high structural disorder of copper atoms is expected in Cu7PS6, similarly like in Cu7PSe6 [4].…”

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confidence: 95%

Electron, Phonon and Thermoelectric Properties of Cu7PS6 Crystal Calculated at DFT Level

Andriyevsky

Barchiy

Studenyak

et al. 2021

Preprint

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The promising class of the environment-friendly thermoelectrics is the copper-based argyrodite-type ion-conducting crystals exhibiting just extraordinary low thermal conductivity below the glass limit associated with the molten copper sublattice leading to a softening of phonon modes. To explain why the argyrodite structure containing copper ions favors the low thermal conductivity, we have utilized the ab initio calculations of the electron, phonon, and thermoelectric properties of Cu7PS6 crystal in the framework of the density functional and Boltzmann transport theories. To obtain the reliable thermoelectric properties of Cu7PS6, we take into account the dependence of the electron effective mass m* on the redundant carrier concentration n. We propose to use the Burstein-Moss effect for the calculation of the electron effective mass m* of a semiconductor. We have found the strong nonlinear character of copper atom vibrations in Cu7PS6 which exceeds substantially the similar values for phosphorous and sulfur atoms. The large vibration nonlinearity of the copper atoms found in Cu7PS6 explains the diffusion-like heat transfer and the relatively low coefficient of the lattice thermal conductivity (κ = 0.7 W/(m⋅K)), which is favorable to achieve the large thermoelectric figure of merit.

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“…At temperatures from 425 to 575 K the calculated activation energy of 0.28 eV reported in work [7] was larger than the value of 0.17 eV for the high temperature modification reported by Beeken et al earlier [8]. In the temperature region between 325 and 425 K the temperature dependent electrical resistivity of polycrystalline Cu 7 PSe 6 shows a strong decrease of electrical resistivity, related to the abovementioned phase transition [5][6][7][8].…”

Section: Introductioncontrasting

confidence: 57%

Structural and electrical properties of argyrodite-type Cu7PS6 crystals

Studenyak¹,

Izai²,

Погодін³

et al. 2018

physics

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Cu7PS6 crystals were grown using direct crystallisation from the melt (Bridgman–Stockbarger technique). The crystal structure of Cu7PS6 was determined by X-ray powder diffraction. Cu7PS6 crystallise in the cubic structure, space group P213 (No. 198), the lattice parameter a = 9.6706(1) Å, formula units per cell Z = 4. Electrical properties of Cu7PS6 crystals were studied in the frequency range 10–1010 Hz and in the temperature interval 296–351 K. The performed analysis shows that the Cu7PS6 crystals are mixed electron-ionic conductors with some growth defects.

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The effect of sulfide substitution in the mixed conductor Cu7PSe6

Cited by 10 publications

References 13 publications

Thermoelectric Transport in Cu₇PSe₆ with High Copper Ionic Mobility

Thermoelectric Transport in Cu₇PSe₆ with High Copper Ionic Mobility

Electron, Phonon and Thermoelectric Properties of Cu7PS6 Crystal Calculated at DFT Level

Structural and electrical properties of argyrodite-type Cu7PS6 crystals

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The effect of sulfide substitution in the mixed conductor Cu7PSe6

Cited by 10 publications

References 13 publications

Thermoelectric Transport in Cu7PSe6 with High Copper Ionic Mobility

Thermoelectric Transport in Cu7PSe6 with High Copper Ionic Mobility

Electron, Phonon and Thermoelectric Properties of Cu7PS6 Crystal Calculated at DFT Level

Structural and electrical properties of argyrodite-type Cu7PS6 crystals

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Product

Resources

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Thermoelectric Transport in Cu₇PSe₆ with High Copper Ionic Mobility

Thermoelectric Transport in Cu₇PSe₆ with High Copper Ionic Mobility