Thermal conductivity of Si nanowires: A first-principles analysis of the role of defects

2014 ◽  
Vol 89 (15) ◽  
Author(s):  
By. Kang ◽  
S. K. Estreicher
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
Si Nanowires

Thermal conductivity of hexagonal Si and hexagonal Si nanowires from first-principles

2017 ◽  
Vol 111 (3) ◽  
pp. 032107 ◽  
Author(s):  
Martí Raya-Moreno ◽  
Hugo Aramberri ◽  
Juan Antonio Seijas-Bellido ◽  
Xavier Cartoixà ◽  
Riccardo Rurali
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
Si Nanowires

scholarly journals Lattice thermal conductivity ofTixZryHf1−x−yNiSnhalf-Heusler alloys calculated from first principles: Key role of nature of phonon modes

2017 ◽  
Vol 95 (4) ◽  
Author(s):  
Simen N. H. Eliassen ◽  
Ankita Katre ◽  
Georg K. H. Madsen ◽  
Clas Persson ◽  
Ole Martin Løvvik ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Heusler Alloys ◽  
Phonon Modes

scholarly journals The role of acoustic phonon anharmonicity in determining thermal conductivity of CdSiP2 and AgGaS2: First principles calculations

AIP Advances ◽  
2015 ◽  
Vol 5 (12) ◽  
pp. 127236 ◽  
Author(s):  
Lei Wei ◽  
X. P. Wang ◽  
B. Liu ◽  
Y. Y. Zhang ◽  
X. S. Lv ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
Acoustic Phonon ◽  
First Principles Calculations

Lattice Thermal Conductivity Modelling of a Diatomic Nanoscale Material

2020 ◽  
Vol 10 (5) ◽  
pp. 602-609
Author(s):  
Adil H. Awad
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Correction Term ◽  
Nanoscale Material ◽  
New Approach ◽  
Two Samples ◽  
Conductivity Modelling ◽  
Callaway Model

Introduction: A new approach for expressing the lattice thermal conductivity of diatomic nanoscale materials is developed. Methods: The lattice thermal conductivity of two samples of GaAs nanobeam at 4-100K is calculated on the basis of monatomic dispersion relation. Phonons are scattered by nanobeam boundaries, point defects and other phonons via normal and Umklapp processes. Methods: A comparative study of the results of the present analysis and those obtained using Callaway formula is performed. We clearly demonstrate the importance of the utilised scattering mechanisms in lattice thermal conductivity by addressing the separate role of the phonon scattering relaxation rate. The formulas derived from the correction term are also presented, and their difference from Callaway model is evident. Furthermore their percentage contribution is sufficiently small to be neglected in calculating lattice thermal conductivity. Conclusion: Our model is successfully used to correlate the predicted lattice thermal conductivity with that of the experimental observation.

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
Author(s):  
Rajmohan Muthaiah ◽  
Jivtesh Garg
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
High Thermal Conductivity ◽  
Biaxial Strain ◽  
Length Scales ◽  
First Principles Study ◽  
Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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