scholarly journals The role of excess Sn in Cu4Sn7S16 for modification of the band structure and a reduction in lattice thermal conductivity

2017 ◽  
Vol 5 (17) ◽  
pp. 4206-4213 ◽  
Author(s):  
Tongtong He ◽  
Naiming Lin ◽  
Zhengliang Du ◽  
Yimin Chao ◽  
Jiaolin Cui
Keyword(s):  
Thermal Conductivity ◽  
Band Structure ◽  
Lattice Thermal Conductivity ◽  
Band Structures

In this work, we have investigated the band structures of ternary Cu4Sn7+xS16 (x = 0–1.0) compounds with an excess of Sn, and examined their thermoelectric (TE) properties.

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.

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

Extraordinary role of Zn in enhancing thermoelectric performance of Ga-doped n-type PbTe

2022 ◽  
Author(s):  
Zhong-zhen Luo ◽  
Songting Cai ◽  
Shiqiang Hao ◽  
Trevor Bailey ◽  
Yubo Luo ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Carrier Concentration ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Performance ◽  
Phonon Coupling ◽  
Electron Phonon Coupling ◽  
Ga Doping ◽  
Role Of Zn

Although Ga doping can weaken the electron phonon coupling of n-type PbTe, Ga-doped PbTe has a relatively low carrier concentration (n) and high lattice thermal conductivity (κlat), resulting in a...

scholarly journals Optimal band structure for thermoelectrics with realistic scattering and bands

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Junsoo Park ◽  
Yi Xia ◽  
Vidvuds Ozoliņš ◽  
Anubhav Jain
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Design Strategy ◽  
Realistic Model ◽  
Research Community ◽  
Band Structures ◽  
Electronic Band ◽  
Interband Scattering ◽  
Electronic Band Structures ◽  
Prior Models

AbstractUnderstanding how to optimize electronic band structures for thermoelectrics is a topic of long-standing interest in the community. Prior models have been limited to simplified bands and/or scattering models. In this study, we apply more rigorous scattering treatments to more realistic model band structures—upward-parabolic bands that inflect to an inverted-parabolic behavior—including cases of multiple bands. In contrast to common descriptors (e.g., quality factor and complexity factor), the degree to which multiple pockets improve thermoelectric performance is bounded by interband scattering and the relative shapes of the bands. We establish that extremely anisotropic “flat-and-dispersive” bands, although best-performing in theory, may not represent a promising design strategy in practice. Critically, we determine optimum bandwidth, dependent on temperature and lattice thermal conductivity, from perfect transport cutoffs that can in theory significantly boost zT beyond the values attainable through intrinsic band structures alone. Our analysis should be widely useful as the thermoelectric research community eyes zT > 3.

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