Effects of Mass Fluctuation on Thermal Transport Properties in Bulk Bi2Te3

Huang, Ben; Zhai, Pengcheng; Yang, Xuqiu; Li, Guodong

doi:10.1007/s11664-016-4977-4

Cited by 9 publications

(11 citation statements)

References 26 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The latter work details the contribution of phonon modes to the thermal and electrical conductivities. Furthermore, other techniques such as molecular dynamics (MD) were used to achieve TE atomistic description in bulk [10][11][12] and nanostructures [13][14][15]. They show good agreement when comparing to available experimental data.…”

Section: Introductionmentioning

confidence: 92%

Lattice thermal conductivity of Bi2Te3 and SnSe using Debye-Callaway and Monte Carlo phonon transport modeling: Application to nanofilms and nanowires

et al. 2019

View full text Add to dashboard Cite

The present work addresses the problem of thermal conductivity simulation in Bi 2 Te 3 and SnSe thermoelectric nanostructures. It first details phonon lifetime calculation in both thermoelectric compounds assuming polynomial dispersion properties and the Debye-Callaway model for the relaxation-time approximation. For both materials, distinct crystallographic directions are considered, i.e., -Z (trigonal axis) and -X (basal plane) for Bi 2 Te 3 and -X (a axis), -Y (b axis), and -Z (c axis) for SnSe. On this basis, the lifetime model is parametrized and bulk thermal conductivity is computed through the resolution of the phonon Boltzmann transport equation with a Monte Carlo method. Grüneisen parameter and mass-disorder lifetime are adjusted to fit experimental temperature dependence. The second part of the study addresses the calculation of thermal conductivity for these two thermoelectric materials in the case of thin films (cross-plane case) and nanowires. The main goals of this work are to provide a fully parametric description of heat transport in Bi 2 Te 3 and SnSe nanofilms and nanowires showing reliable behavior on an extended size range, from 20 nm to 2 μm, and large temperature range (100-500 K for Bi 2 Te 3 ; 200-800 K for SnSe). Comparisons to bulk thermal conductivity calculations and measurements as well as to recent investigations on nanowires, demonstrate the effectiveness of the proposed methodology to deal with nanostructured Bi 2 Te 3 and SnSe.

show abstract

Section: Introductionmentioning

confidence: 92%

Lattice thermal conductivity of Bi2Te3 and SnSe using Debye-Callaway and Monte Carlo phonon transport modeling: Application to nanofilms and nanowires

et al. 2019

View full text Add to dashboard Cite

show abstract

“…Hence, a strong anharmonicity under lattice strain modulation can be highly beneficial for remarkably decreasing the κ L without deteriorating the carrier concentration. [19,27] So far, it is a main challenge to connect lattice strain and larger anharmonicity under increased electronic transport. Thus, the present study proposes an effective and comprehensive combination of defect engineering and lattice engineering for functional carrier scattering to enhance thermoelectricity in layered materials.…”

Section: Strain-mediated Lattice Rotation Design For Enhancing Thermo...mentioning

confidence: 99%

Strain‐Mediated Lattice Rotation Design for Enhancing Thermoelectric Performance in Bi₂S₂Se

Mansoor

Jabar

et al. 2023

Adv Funct Materials

View full text Add to dashboard Cite

A unique strain-mediated lattice rotation strategy is introduced via nanocompositing to upsurge the optimized limits in the composition-to-structural pathway on rationally engineering the efficient thermoelectric material. In this study, a special lattice rotation via strain engineering is realized to optimize the desired electronic and chemical environment for enhancing thermoelectric properties in n-type Bi 2 S 2 Se. This approach results in a unique transport phenomenon to assist high-energy electrons in transferring through the optimized transport channels, and appropriate structure disparity to significantly localize phonons. As a result, Sb over Cl doping in Bi 2 S 2 Se gently reduces E g and introduces defect states in bandgap with shifting down the Fermi level, thus causing increase in carrier concentration, which contributes to a higher power factor of ≈7.18 µW cm −1 K −2 (at T = 773 K). Besides, a lower thermal conductivity of ≈0.49 W m −1 K −1 is driven through lattice strain and defect engineering. Consequently, an ultra-high ZT max = 1.13 (at T = 773 K) and a high ZT ave = 0.54 (323 K-773 K) are realized. This study not only leads to an extraordinary thermoelectric performance but also reveals a unique paradigm for electron transportation and phonon localization via lattice strain engineering.

show abstract

“…Topological insulators are a class of materials where the bulk band-gap is bridged by conducting, spin filtered surface states, which are protected from elastic backscattering by the symmetry of the electronic bands [1]. Bismuth selenide (Bi 2 Se 3 ), bismuth telluride (Bi 2 Te 3 ) and their ternary alloy (Bi 2 (Te (1−x) Se x ) 3 ) are strong 3D topological insulators with large bulk bandgaps [2,3], in addition to being efficient room temperature thermoelectrics [4,5]. These topological insulators host a single set of metallic surface states at the Γ point, which makes exploration of the optical properties an attractive prospect, especially as plasmonic modes that carry pure spin currents have been predicted to arise within these topological insulators [6].…”

Section: Introductionmentioning

confidence: 99%

“…This makes the Bi 2 (Te (1−x) Se x ) 3 system an extremely interesting topic of study, as this preferential order should minimise the formation of the vacancy defects common in Bi 2 Se 3 and the Te-Bi antisite defects common in Bi 2 Te 3 [16]. This becomes especially important when considering the thermoelectric properties osf Bi 2 Te 3 and Bi 2 Se 3 , as manipulating the number of defects is essential to minimise the lattice thermal conductivity, increasing the thermoelectric figure of merit [5]. In addition to controlling the density of defects, since as-grown Bi 2 Se 3 is n-type, and Bi 2 Te 3 may be grown p-type under the correct conditions, tuning the stoichiometry of Bi 2 (Te (1−x) Se x ) 3 can be used in order to access a mid-gap, surface dominated state [2].…”

Section: Introductionmentioning

confidence: 99%

Effects of structural ordering on infrared active vibrations within Bi2(Te(1−x)Sex)3<

Knox

Vaughan²,

Burnett³

et al. 2022

Phys. Rev. B

View full text Add to dashboard Cite

We have performed a materials investigation into the properties of the THz conductivity spectra in the ternary alloy Bi 2 (Te (1−x) Se x ) 3 as a function of selenium fraction, x and temperature. We find that the reduction in crystalline anharmonicity caused by the preferential ordering of the x = 1/3 phase of Bi 2 (Te (1−x) Se x ) 3 results in the prominent E 1 u phonon (occurring between 1.5 and 1.9 THz) red-shifting on cooling less than the binary Bi 2 Te 3 and Bi 2 Se 3 samples. We also find that the E 1 u phonon couples to an electronic continuum at low temperatures (T ⩽ 40 K), regardless of Bi 2 (Te (1−x) Se x ) 3 stoichiometry or the Hall mobility of the topological insulator crystal. These results highlight the role that these optical modes play in the electronic and thermal transport within this ternary alloy, and pave the way for exploring the interesting phonon dynamics within these topological insulator and thermoelectric materials.

show abstract

Effects of Mass Fluctuation on Thermal Transport Properties in Bulk Bi2Te3

Cited by 9 publications

References 26 publications

Lattice thermal conductivity of Bi2Te3 and SnSe using Debye-Callaway and Monte Carlo phonon transport modeling: Application to nanofilms and nanowires

Lattice thermal conductivity of Bi2Te3 and SnSe using Debye-Callaway and Monte Carlo phonon transport modeling: Application to nanofilms and nanowires

Strain‐Mediated Lattice Rotation Design for Enhancing Thermoelectric Performance in Bi₂S₂Se

Effects of structural ordering on infrared active vibrations within Bi2(Te(1−x)Sex)3<

Contact Info

Product

Resources

About

Effects of Mass Fluctuation on Thermal Transport Properties in Bulk Bi2Te3

Cited by 9 publications

References 26 publications

Lattice thermal conductivity of Bi2Te3 and SnSe using Debye-Callaway and Monte Carlo phonon transport modeling: Application to nanofilms and nanowires

Lattice thermal conductivity of Bi2Te3 and SnSe using Debye-Callaway and Monte Carlo phonon transport modeling: Application to nanofilms and nanowires

Strain‐Mediated Lattice Rotation Design for Enhancing Thermoelectric Performance in Bi2S2Se

Effects of structural ordering on infrared active vibrations within Bi2(Te(1−x)Sex)3<

Contact Info

Product

Resources

About

Strain‐Mediated Lattice Rotation Design for Enhancing Thermoelectric Performance in Bi₂S₂Se