scholarly journals Ab initio calculation of the thermal conductivity of indium antimonide

2014 ◽  
Vol 29 (12) ◽  
pp. 124002 ◽  
Author(s):  
Alonso L Miranda ◽  
Bin Xu ◽  
Olle Hellman ◽  
Aldo H Romero ◽  
Matthieu J Verstraete
Keyword(s):  
Thermal Conductivity ◽  
Ab Initio ◽  
Indium Antimonide ◽  
Ab Initio Calculation

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.

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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