Extremely space and time restricted thermal transport in the high temperature Cmcm phase of thermoelectric SnSe

Lee, Chi−Hung; Ma, Ma-Hsuan; Li, Wen-Hsien; Wei, Pai‐Chun; Chen, Yang‐Yuan; Zhao, Yang; Lynn, J. W.

doi:10.1016/j.mtphys.2019.100171

Cited by 11 publications

(3 citation statements)

References 33 publications

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“…But this was never directly confirmed, as no phonon dispersions have been reported for SnS at all, while only limited low-resolution INS measurements were performed in SnSe for T reaching near T C (refs. 12 , 15 , 16 ). Conversely, some studies have found evidence that the transition has some degree of first order character, and could involve a possible two-step mechanism 14 , 17 but this model remains controversial, as recent anharmonic phonon simulations are consistent with a second-order behavior 18 .…”

Section: Introductionmentioning

confidence: 99%

Extended anharmonic collapse of phonon dispersions in SnS and SnSe

et al. 2020

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The lattice dynamics and high-temperature structural transition in SnS and SnSe are investigated via inelastic neutron scattering, high-resolution Raman spectroscopy and anharmonic first-principles simulations. We uncover a spectacular, extreme softening and reconstruction of an entire manifold of low-energy acoustic and optic branches across a structural transition, reflecting strong directionality in bonding strength and anharmonicity. Further, our results solve a prior controversy by revealing the soft-mode mechanism of the phase transition that impacts thermal transport and thermoelectric efficiency. Our simulations of anharmonic phonon renormalization go beyond low-order perturbation theory and capture these striking effects, showing that the large phonon shifts directly affect the thermal conductivity by altering both the phonon scattering phase space and the group velocities. These results provide a detailed microscopic understanding of phase stability and thermal transport in technologically important materials, providing further insights on ways to control phonon propagation in thermoelectrics, photovoltaics, and other materials requiring thermal management.

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Section: Introductionmentioning

confidence: 99%

Extended anharmonic collapse of phonon dispersions in SnS and SnSe

et al. 2020

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“…In addition, phonon scattering can be engineered in TE materials by the inhomogeneous internal strain field such as dislocations and precipitates, leading to the variation of the phonon transport path. Moreover, the current studies demonstrated that the internal strain was the origin of lattice softening, phonon group velocity reduction, and zT elevation. − For example, Hanus et al confirmed that the variation of thermal performance in the PbTe system was ascribed to the lattice softening through alloying or lattice defects. − Muchtar et al found that the incorporation of specific alien atoms in TE materials can effectively weaken the strength of chemical bonds (lattice softening), which hindered the frequency of acoustic phonons and inhibited the phonon group velocities and the entirety of lattice contribution to the κ. , It is notably anticipated that the lattice stiffness modulating has a great influence on the phonon transport in some states . Besides aforementioned strategies, Acharya et al reported that the magnetic elements could optimize magnetic entropy and structural disorder, leading to the changes in transport properties of charge carriers .…”

Section: Introductionmentioning

confidence: 75%

Achieving High Thermoelectric Properties of Cu₂Se via Lattice Softening and Phonon Scattering Mechanism

Zhang

Zhao

et al. 2022

ACS Appl. Energy Mater.

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Co-alloying solid solution was regarded as a convenient approach to optimize the thermoelectric properties. In this study, the densified Cu2–x (MnFeNi) x Se1–y Te y (x = 0–0.09; y = 0–0.03) designed by entropy engineering was prepared via microwave melting and hot-pressing sintering. The scattering mechanism and thermoelectric performance of Cu2Se were evaluated. Due to the regulation of the carrier concentration and structural stabilization of the β-phase, the electrical performance was significantly enhanced. Moreover, the infrared spectroscopy analysis and the decrease in sound velocity unambiguously demonstrated the existence of a lattice softening effect of bulk Cu2Se. By manipulating the lattice conductivity using entropy engineering, the thermal transport property gradually decreased (∼0.4 W m–1 K–1 at 300 K) due to the lattice softening effect and phonon scattering mechanism. The obtained zT max was 1.37 at 750 K in the Cu2.91(MnFeNi)0.09Se0.99Te0.01 sample.

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“…In the 1990s, optical absorption measurements revealed that the optical bandgap for α-SnSe was 0.923 eV [97]. As computational science rapidly advances, theoretical simulations have reported the values for the bandgap of both α-SnSe and β-SnSe: the bandgap of β-SnSe is only half that of α-SnSe [98][99][100][101][102][103][104][105][106][107]. In addition to studying the electronic structures of SnSe under ambient conditions, the electronic properties of SnSe under high pressure have been investigated.…”

Section: Electronic Structurementioning

confidence: 99%

Pressure-Induced Modulation of Tin Selenide Properties: A Review

Cheng,

Zhang,

Lin

et al. 2023

Molecules

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Tin selenide (SnSe) holds great potential for abundant future applications, due to its exceptional properties and distinctive layered structure, which can be modified using a variety of techniques. One of the many tuning techniques is pressure manipulating using the diamond anvil cell (DAC), which is a very efficient in situ and reversible approach for modulating the structure and physical properties of SnSe. We briefly summarize the advantages and challenges of experimental study using DAC in this review, then introduce the recent progress and achievements of the pressure-induced structure and performance of SnSe, especially including the influence of pressure on its crystal structure and optical, electronic, and thermoelectric properties. The overall goal of the review is to better understand the mechanics underlying pressure-induced phase transitions and to offer suggestions for properly designing a structural pattern to achieve or enhanced novel properties.

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Extremely space and time restricted thermal transport in the high temperature Cmcm phase of thermoelectric SnSe

Cited by 11 publications

References 33 publications

Extended anharmonic collapse of phonon dispersions in SnS and SnSe

Extended anharmonic collapse of phonon dispersions in SnS and SnSe

Achieving High Thermoelectric Properties of Cu₂Se via Lattice Softening and Phonon Scattering Mechanism

Pressure-Induced Modulation of Tin Selenide Properties: A Review

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Extremely space and time restricted thermal transport in the high temperature Cmcm phase of thermoelectric SnSe

Cited by 11 publications

References 33 publications

Extended anharmonic collapse of phonon dispersions in SnS and SnSe

Extended anharmonic collapse of phonon dispersions in SnS and SnSe

Achieving High Thermoelectric Properties of Cu2Se via Lattice Softening and Phonon Scattering Mechanism

Pressure-Induced Modulation of Tin Selenide Properties: A Review

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Achieving High Thermoelectric Properties of Cu₂Se via Lattice Softening and Phonon Scattering Mechanism