scholarly journals Electronic and thermal properties of GeTe/Sb2Te3 superlattices by ab initio approach: Impact of Van der Waals gaps on vertical lattice thermal conductivity

2021 ◽  
Vol 119 (20) ◽  
pp. 201911
Author(s):  
Benoît Sklénard ◽  
François Triozon ◽  
Chiara Sabbione ◽  
Lavinia Nistor ◽  
Michel Frei ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermal Properties ◽  
Ab Initio ◽  
Lattice Thermal Conductivity ◽  
Van Der Waals ◽  
Ab Initio Approach

Phonon scattering due to van der Waals forces in the lattice thermal conductivity of Bi2Te3 thin films

2015 ◽  
Vol 117 (1) ◽  
pp. 015103 ◽  
Author(s):  
Kyeong Hyun Park ◽  
Mohamed Mohamed ◽  
Zlatan Aksamija ◽  
Umberto Ravaioli
Keyword(s):  
Thin Films ◽  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Van Der Waals ◽  
Van Der Waals Forces

scholarly journals Effect of the electropositive elements A = Sc, La, and Ce on the microscopic dynamics of AV2Al20

2014 ◽  
Vol 16 (48) ◽  
pp. 27119-27133 ◽  
Author(s):  
Michael Marek Koza ◽  
Andreas Leithe-Jasper ◽  
Erik Sischka ◽  
Walter Schnelle ◽  
Horst Borrmann ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Ab Initio ◽  
Ground State ◽  
Lattice Thermal Conductivity ◽  
Neutron Spectroscopy ◽  
Cage Compound ◽  
Ground State Properties ◽  
Phonon Renormalization ◽  
Microscopic Dynamics

Neutron spectroscopy andab initiocalculations indicate the apparent glass-like lattice thermal conductivityκlof the nano-cage compound ScV2Al20as an effect of phonon renormalization predetermined by the crystal’s ground state properties.

scholarly journals Influence of Pd Doping on Electrical and Thermal Properties of n-Type Cu0.008Bi2Te2.7Se0.3 Alloys

Materials ◽  
2019 ◽  
Vol 12 (24) ◽  
pp. 4080 ◽  
Author(s):  
Se Yun Kim ◽  
Hyun-Sik Kim ◽  
Kyu Hyoung Lee ◽  
Hyun-jun Cho ◽  
Sung-sil Choo ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermal Properties ◽  
Carrier Concentration ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Energy Conversion Efficiency ◽  
Thermoelectric Figure ◽  
Pd Doping ◽  
Effect Of Pd

Doping is known as an effective way to modify both electrical and thermal transport properties of thermoelectric alloys to enhance their energy conversion efficiency. In this project, we report the effect of Pd doping on the electrical and thermal properties of n-type Cu0.008Bi2Te2.7Se0.3 alloys. Pd doping was found to increase the electrical conductivity along with the electron carrier concentration. As a result, the effective mass and power factors also increased upon the Pd doping. While the bipolar thermal conductivity was reduced with the Pd doping due to the increased carrier concentration, the contribution of Pd to point defect phonon scattering on the lattice thermal conductivity was found to be very small. Consequently, Pd doping resulted in an enhanced thermoelectric figure of merit, zT, at a high temperature, due to the enhanced power factor and the reduced bipolar thermal conductivity.

Thermal Properties of Si Mechanically Alloyed with FeSi2 and CrSi2

2015 ◽  
Vol 799-800 ◽  
pp. 207-211
Author(s):  
Konstantin N. Galkin ◽  
Andrey Usenko ◽  
Andrey Voronin ◽  
Dmitriy Moskovskikh ◽  
Andrey Korotitskiy ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermal Properties ◽  
Size Effect ◽  
Band Gap ◽  
Lattice Thermal Conductivity ◽  
Volume Fraction ◽  
Reference Sample ◽  
The Other ◽  
Mechanically Alloyed ◽  
Silicon Structures

Thermal properties of Si mechanically alloyed with FeSi2 and CrSi2 were characterized for the samples with different volume fraction of the disilicides. An anomalously low thermal conductivity observed in the FeSi2-doped samples was ascribed to an enhanced porosity of the samples which triggered the size effect on the lattice thermal conductivity reported previously for nanomeshed and “holey” silicon structures. It was also found that alloying of Si with FeSi2 led to a reduction of thermal conductivity as compared to the reference sample of pure Si prepared under the same conditions. On the other hand, alloying of Si with CrSi2 resulted in an increase in the thermal conductivity as compared to the reference sample of pure Si. The observed trends in the thermal conductivity were ascribed to the formation of impurity levels in the band gap.

Novel IV-V-VI Semiconductors with Ultralow Lattice Thermal Conductivity

2021 ◽  
Author(s):  
Yu Gan ◽  
Yongda Huang ◽  
Naihua Miao ◽  
Jian Zhou ◽  
Zhimei Sun
Keyword(s):  
Thermal Conductivity ◽  
Ab Initio ◽  
Energy Management ◽  
Thermal Barrier Coatings ◽  
High Throughput ◽  
Thermal Energy ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity ◽  
Thermal Barrier ◽  
Barrier Coatings

Crystalline solids with ultralow thermal conductivity are paramount for the development of thermoelectric materials and thermal barrier coatings for efficient thermal energy management. Here, by high-throughput ab initio calculations, we...

scholarly journals Ab initio lattice thermal conductivity of bulk and thin-film α-Al2O3

2018 ◽  
Vol 8 (03) ◽  
pp. 1119-1123 ◽  
Author(s):  
Bonny Dongre ◽  
Jesús Carrete ◽  
Natalio Mingo ◽  
Georg K.H. Madsen
Keyword(s):  
Thin Film ◽  
Thermal Conductivity ◽  
Ab Initio ◽  
Lattice Thermal Conductivity ◽  
Α Al2o3 ◽  
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