Phonon-glass electron-crystal thermoelectric clathrates: Experiments and theory

T Takabatake, K Suekuni, T Nakayama… - Reviews of Modern …, 2014 - APS
Type-I clathrate compounds have attracted a great deal of interest in connection with the
search for efficient thermoelectric materials. These compounds constitute networked cages …

BoltzTraP. A code for calculating band-structure dependent quantities

GKH Madsen, DJ Singh - Computer Physics Communications, 2006 - Elsevier
A program for calculating the semi-classic transport coefficients is described. It is based on a
smoothed Fourier interpolation of the bands. From this analytical representation we …

[图书][B] Thermoelectrics handbook: macro to nano

DM Rowe - 2018 - books.google.com
Ten years ago, DM Rowe introduced the bestselling CRC Handbook of Thermoelectrics to
wide acclaim. Since then, increasing environmental concerns, desire for long-life electrical …

Zintl chemistry for designing high efficiency thermoelectric materials

ES Toberer, AF May, GJ Snyder - Chemistry of Materials, 2010 - ACS Publications
Zintl phases and related compounds are promising thermoelectric materials; for instance,
high zT has been found in Yb14MnSb11, clathrates, and the filled skutterudites. The rich …

An ab initio electronic transport database for inorganic materials

F Ricci, W Chen, U Aydemir, GJ Snyder… - Scientific data, 2017 - nature.com
Electronic transport in materials is governed by a series of tensorial properties such as
conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the …

Characterization and analysis of thermoelectric transport in -type

AF May, ES Toberer, A Saramat, GJ Snyder - Physical Review B—Condensed …, 2009 - APS
The thermoelectric transport properties of polycrystalline, n-type Ba 8 Ga 16− x Ge 30+ x
were characterized from 300 to 1000 K. The carrier density was found to vary precisely with …

Automated search for new thermoelectric materials: the case of LiZnSb

GKH Madsen - Journal of the American Chemical Society, 2006 - ACS Publications
An automated band structure calculation based on the inorganic crystal structure database
and the augmented plane wave method for electronic structure calculations is presented …

Atomic Interactions in the p-Type Clathrate I Ba8Au5.3Ge40.7

H Zhang, H Borrmann, N Oeschler, C Candolfi… - Inorganic …, 2011 - ACS Publications
Single crystals of Ba8Au5. 3Ge40. 7 [space group Pm 3̅ n (No. 223), a= 10.79891 (8) Å]
were prepared by a Bridgman technique. The crystal structure refinement based on single …

First-principles calculations of thermoelectric transport properties of quaternary and ternary bulk chalcogenide crystals

S Hasan, S San, K Baral, N Li, P Rulis, WY Ching - Materials, 2022 - mdpi.com
Chalcogenide crystals have a wide range of applications, especially as thermoelectric
materials for energy conversion. Thermoelectric materials can be used to generate an …

Simultaneous structure and carrier tuning of dimorphic clathrate

K Suekuni, MA Avila, K Umeo, H Fukuoka… - Physical Review B …, 2008 - APS
We report structural, transport, and thermal properties of carrier-tuned Ba 8 Ga 16 Sn 30
single crystals with the type-1 clathrate structure (β phase), demonstrating that Ba 8 Ga 16 …