Negative thermal expansion: Mechanisms and materials
E Liang, Q Sun, H Yuan, J Wang, G Zeng, Q Gao - Frontiers of Physics, 2021 - Springer
Negative thermal expansion (NTE) of materials is an intriguing phenomenon challenging the
concept of traditional lattice dynamics and of importance for a variety of applications …
concept of traditional lattice dynamics and of importance for a variety of applications …
A review of recent progress in thermoelectric materials through computational methods
Reducing our overwhelming dependence on fossil fuels requires groundbreaking
innovations in increasing our efficiency in energy consumption for current technologies and …
innovations in increasing our efficiency in energy consumption for current technologies and …
The origin of the lattice thermal conductivity enhancement at the ferroelectric phase transition in GeTe
The proximity to structural phase transitions in IV-VI thermoelectric materials is one of the
main reasons for their large phonon anharmonicity and intrinsically low lattice thermal …
main reasons for their large phonon anharmonicity and intrinsically low lattice thermal …
[PDF][PDF] Ferroelectric engineering advances thermoelectric materials
Y Fan, G Tan - Mater. Lab, 2022 - matlab.labapress.com
It is commonly believed that wide band gap ferroelectrics are electrically insulating and can
hardly be promising thermoelectric materials. However, things could be different if their gaps …
hardly be promising thermoelectric materials. However, things could be different if their gaps …
Nuanced dilute do** strategy enables high-performance GeTe thermoelectrics
J Zhong, X Yang, T Lyu, G Liang, S Zhang, C Zhang… - Science Bulletin, 2024 - Elsevier
In thermoelectrics, do** is essential to augment the figure of merit. Traditional strategy,
predominantly heavy do**, aims to optimize carrier concentration and restrain lattice …
predominantly heavy do**, aims to optimize carrier concentration and restrain lattice …
First-principles study on the thermoelectric properties of Sr2Si and Sr2Ge
HJ You, BY Su, YT Chiang, TH Li, HS Chu, H Lin - Materials Today Physics, 2023 - Elsevier
The development of environmentally friendly thermoelectric materials composed of earth-
abundant, non-toxic elements is highly desirable in thermoelectric technology. In this study …
abundant, non-toxic elements is highly desirable in thermoelectric technology. In this study …
Negative Thermal Expansion in the Polymorphic Modification of Double Sulfate β-AEu(SO4)2 (A–Rb+, Cs+)
New polymorphic modifications of double sulfates β-AEu (SO4) 2 (A–Rb+, Cs+) were
obtained by the hydrothermal method, the structure of which differs significantly from the …
obtained by the hydrothermal method, the structure of which differs significantly from the …
Cu/Sb codo** for tuning carrier concentration and thermoelectric performance of GeTe-based alloys with ultralow lattice thermal conductivity
Pristine GeTe shows promising thermoelectric performance but is limited by the high carrier
concentration (n H) from Ge vacancies and thermal conductivity. Herein, Cu/Sb was chosen …
concentration (n H) from Ge vacancies and thermal conductivity. Herein, Cu/Sb was chosen …
Approximations in first-principles volumetric thermal expansion determination
In the realm of thermal expansion determination, the quasiharmonic approximation (QHA)
stands as a widely embraced method for discerning minima of free energies across diverse …
stands as a widely embraced method for discerning minima of free energies across diverse …
Thermal expansion in insulating solids from first principles
In this Tutorial, we describe the use of the quasiharmonic approximation and first-principles
density functional theory (DFT) to calculate and analyze the thermal expansion of insulating …
density functional theory (DFT) to calculate and analyze the thermal expansion of insulating …