Structure impact on the thermal and electronic properties of bismuth telluride by ab-initio and molecular dynamics calculations

Termentzidis, Konstantinos; Pokropivny, A. V.; Woda, Michael; Xiong, Shiyun; Chumakov, Yu. M.; Cortona, Pietro; Volz, Sébastian

doi:10.1088/1742-6596/395/1/012114

Cited by 8 publications

(10 citation statements)

References 15 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The two-body interatomic potential that have been successfully applied to the Bi 2 Te 3 films and quantum wires [17] has been also used here. This potential has a Columbic term to describe the long-range electrostatic interactions and a short-range interaction term [6]: At ambient conditions, bulk Bi 2 Te 3 have a rhombohedral structure with the space group R-3m, with five atoms in the primitive cell shown in Fig. 1 (a).…”

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Thermal conductivity of Bi2Te3 nanowires and nanotubes

Shen¹,

Stein²,

Lacroix³

et al. 2015

2015 21st International Workshop on Thermal Investigations of ICs and Systems (THERMINIC)

View full text Add to dashboard Cite

The thermal conductivity and the structural stability of Bi 2 Te 3 nanowire and nanotubes are investigated by molecular dynamics simulations with growth orientations [0 0 1] [0 1 0]. The thermal conductivity of nanowires is lower than the bulk thermal conductivity by a factor of ten, while for the nanotubes by a factor of twenty. The striking result is that while the nanowires in the direction [001] are dynamically unstable, nanotubes in this direction remain stable. The stability and the ultralow thermal conductivity of Bi 2 Te 3 nanotubes suggest improvement for next thermoelectric generation devices.

show abstract

Section: Methodsmentioning

confidence: 99%

“…However, the ZT value for bulk Bi 2 Te 3 or ternary alloys is still around 1.0. Recently, a lot of studies have been conducted on the nanostructured Bi 2 Te 3 [3][4][5][6][7], like Bi 2 Te 3 nanowires. It has been proven that low dimension structures could significantly enhance thermoelectric properties [8].…”

Section: Introductionmentioning

confidence: 99%

Thermal conductivity of Bi2Te3 nanowires and nanotubes

Shen¹,

Stein²,

Lacroix³

et al. 2015

2015 21st International Workshop on Thermal Investigations of ICs and Systems (THERMINIC)

View full text Add to dashboard Cite

show abstract

“…This may also be due to the fact that none of the junctions were maintained at constant room temperature using a heat sink. As a result, the temperatures at The increase could be due to the decrease in the thermal conductivity of the materials at high deposition temperatures [22]. The subsequent decrease could be due to the excessive increase in the resistivity of Bi …”

Section: Measurement Of Effective Seebeck Coefficient or Voltage Sensmentioning

confidence: 99%

Fabrication and Characterization of PLD-Grown Bismuth Telluride (Bi2Te3) and Antimony Telluride (Sb2Te3) Thermoelectric Devices

Abdel‐Motaleb¹,

Qadri²

2017

JECTC

View full text Add to dashboard Cite

We report on the fabrication and characterization of multi-leg bismuth telluride (Bi 2 Te 3 ) and antimony telluride (Sb 2 Te 3 ) thermoelectric devices. The two materials were deposited, on top of SiO 2 /Si substrates, using Pulsed Laser Deposition (PLD). The SiO 2 layer was used to provide insulation between the devices and the Si wafer. Copper was used as an electrical connector and a contact for the junctions. Four devices were built, where the Bi 2 Te 3 and Sb 2 Te 3 were deposited at substrate temperatures of 100˚C, 200˚C, 300˚C and 400˚C. The results show that the device has a voltage sensitivity of up to 146 μV/K and temperature sensitivity of 6.8 K/mV.

show abstract

“…In addition, there is a lack of appropriate probe for the interfacial defects in nanocrystalline materials. Despite a few theoretical calculations, 22 little attention was paid to the effect of interfacial defects on the thermal conductivity.…”

Section: ■ Introductionmentioning

confidence: 99%

Interplay between Point Defects and Thermal Conductivity of Chemically Synthesized Bi₂Te₃ Nanocrystals Studied by Positron Annihilation

Chen

et al. 2014

J. Phys. Chem. C

View full text Add to dashboard Cite

In this work, Bi 2 Te 3 nanocrystals were synthesized via a hydrothermal method. They were treated by spark plasma sintering (SPS) at 350°C and further annealed between 350 and 500°C. The crystal structures and morphologies of these annealed Bi 2 Te 3 samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and high-resolution transmission electron microscopy (HRTEM) measurements. SEM observation indicates an obvious increase of particle size with increasing annealing temperature, but the grain size estimated from HRTEM observation and the broadening of X-ray diffraction lines show little change in the annealing temperature range between 350 and 500°C. Positron annihilation lifetime measurements reveal vacancy defects in all of the samples, which exist most probably in the grain boundary region. The average positron lifetime shows a monotonic decrease from 301 to 273 ps with increasing annealing temperatures up to 500°C. Detailed analysis of the positron lifetime indicates decrease of vacancy concentration after annealing. Meanwhile, the lattice thermal conductivity of the Bi 2 Te 3 nanocrystals increases with increasing annealing temperature. The electrical resistivity and Seebeck coefficient have also some changes for the annealed samples. The intimate correlation between vacancy defects and lattice thermal conductivity confirms that reduction of thermal conductivity in Bi 2 Te 3 nanocrystals is due to phonon scattering by vacancy defects rather than grain size effects.

show abstract

Structure impact on the thermal and electronic properties of bismuth telluride by ab-initio and molecular dynamics calculations

Cited by 8 publications

References 15 publications

Thermal conductivity of Bi2Te3 nanowires and nanotubes

Thermal conductivity of Bi2Te3 nanowires and nanotubes

Fabrication and Characterization of PLD-Grown Bismuth Telluride (Bi<sub>2</sub>Te<sub>3</sub>) and Antimony Telluride (Sb<sub>2</sub>Te<sub>3</sub>) Thermoelectric Devices

Interplay between Point Defects and Thermal Conductivity of Chemically Synthesized Bi₂Te₃ Nanocrystals Studied by Positron Annihilation

Contact Info

Product

Resources

About

Structure impact on the thermal and electronic properties of bismuth telluride by ab-initio and molecular dynamics calculations

Cited by 8 publications

References 15 publications

Thermal conductivity of Bi2Te3 nanowires and nanotubes

Thermal conductivity of Bi2Te3 nanowires and nanotubes

Fabrication and Characterization of PLD-Grown Bismuth Telluride (Bi&lt;sub&gt;2&lt;/sub&gt;Te&lt;sub&gt;3&lt;/sub&gt;) and Antimony Telluride (Sb&lt;sub&gt;2&lt;/sub&gt;Te&lt;sub&gt;3&lt;/sub&gt;) Thermoelectric Devices

Interplay between Point Defects and Thermal Conductivity of Chemically Synthesized Bi2Te3 Nanocrystals Studied by Positron Annihilation

Contact Info

Product

Resources

About

Fabrication and Characterization of PLD-Grown Bismuth Telluride (Bi<sub>2</sub>Te<sub>3</sub>) and Antimony Telluride (Sb<sub>2</sub>Te<sub>3</sub>) Thermoelectric Devices

Interplay between Point Defects and Thermal Conductivity of Chemically Synthesized Bi₂Te₃ Nanocrystals Studied by Positron Annihilation