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Dislocation strain as the mechanism of phonon scattering at grain boundaries

Journal Article · · Materials Horizons
DOI:https://doi.org/10.1039/C5MH00299K· OSTI ID:1388407
Thermal conductivities of polycrystalline thermoelectric materials are satisfactorily calculated by replacing the commonly used Casimir model (freqeuncy-independent) with grain boundary dislocation strain model (frequency-dependent) of Klemens. It is demonstrated that the grain boundaries are better described as a collection of dislocations rather than perfectly scattering interfaces.
Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0001299
OSTI ID:
1388407
Journal Information:
Materials Horizons, Journal Name: Materials Horizons Journal Issue: 3 Vol. 3; ISSN 2051-6347; ISSN MHAOAL
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English

References (43)

Microstructure-Lattice Thermal Conductivity Correlation in Nanostructured PbTe 0.7 S 0.3 Thermoelectric Materials journal March 2010
The Criteria for Beneficial Disorder in Thermoelectric Solid Solutions journal October 2012
On grain boundary dislocations in plane matching grain boundaries journal December 1979
Dissociated $$ \frac{1}{3}\langle 0\bar{1}11\rangle $$ 1 3 〈 0 1 ¯ 11 〉 dislocations in Bi2Te3 and their relationship to seven-layer Bi3Te4 defects journal January 2014
Room-Temperature Mechanical Properties and Slow Crack Growth Behavior of Mg2Si Thermoelectric Materials journal January 2012
On intrinsic secondary grain boundary dislocation arrays in high angle symmetrical tilt grain boundaries journal September 1981
The dependence on thickness of the thermal resistance of crystals at low temperatures journal July 1938
Note on the conduction of heat in crystals journal June 1938
Estimating geometric dislocation densities in polycrystalline materials from orientation imaging microscopy journal March 2010
The conductivity of thin metallic films according to the electron theory of metals journal January 1938
Atomic volume and allotropy of the elements journal February 1984
Thermal Conductivity of Nanocrystalline Silicon: Importance of Grain Size and Frequency-Dependent Mean Free Paths journal June 2011
Phonon scattering at grain boundaries in heavily doped fine-grained silicon–germanium alloys journal April 1981
High-performance bulk thermoelectrics with all-scale hierarchical architectures journal September 2012
Complex thermoelectric materials journal February 2008
High thermoelectric figure of merit in heavy hole dominated PbTe journal January 2011
Phonon engineering through crystal chemistry journal January 2011
Thermal conductivity of GaN films: Effects of impurities and dislocations journal September 2002
Phonon Scattering by Cottrell Atmospheres Surrounding Dislocations journal October 1968
Kapitza conductance and phonon scattering at grain boundaries by simulation journal June 2004
Thermal expansion coefficients of Bi 2 Se 3 and Sb 2 Te 3 crystals from 10 K to 270 K journal December 2011
Nanoscale thermal transport. II. 2003–2012 journal March 2014
The mean free path of electrons in metals journal September 2001
The mean free path of electrons in metals journal January 1952
The detection of dislocations by low temperature heat conductivity measurements journal April 1959
Quantitative observation of misfit dislocation arrays in low and high angle twist grain boundaries journal January 1970
Boundary scattering of phonons in fine-grained hot-pressed Ge-Si alloys. I. The dependence of lattice thermal conductivity on grain size and porosity journal September 1980
Boundary scattering of phonons in fine-grained hot-pressed Ge-Si alloys. II. Theory journal September 1980
Importance of frequency-dependent grain boundary scattering in nanocrystalline silicon and silicon–germanium thermoelectrics journal November 2014
The Thermal Conductivity of some Polycrystalline Solids at Low Temperatures journal December 1952
The Scattering of Low-Frequency Lattice Waves by Static Imperfections journal December 1955
Geometrical considerations concerning the structural irregularities to be assumed in a crystal journal January 1940
The structure of a cold-worked metal journal January 1940
Model for Lattice Thermal Conductivity at Low Temperatures journal February 1959
Lattice Thermal Conductivity of Disordered Semiconductor Alloys at High Temperatures journal September 1963
Scattering of Phonons by Electrons in Germanium-Silicon Alloys journal November 1964
Dislocation Models of Crystal Grain Boundaries journal May 1950
Lattice-dynamical calculation of the Kapitza resistance between fcc lattices journal August 1989
Lattice Thermal Conductivity of a Deformed Copper-Germanium Alloy journal January 1973
Size and Interface Effects on Thermal Conductivity of Superlattices and Periodic Thin-Film Structures journal May 1997
Dense dislocation arrays embedded in grain boundaries for high-performance bulk thermoelectrics journal April 2015
Complex thermoelectric materials book October 2010
Thermal Expansion Coefficients of Bi$_2$Se$_3$ and Sb$_2$Te$_3$ Crystals from 10 K to 270 K text January 2011

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