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Giant phonon anharmonicity driven by the asymmetric lone pairs in Mg3Bi2

Journal Article · · Materials Today Physics
Not Available
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
1882732
Alternate ID(s):
OSTI ID: 1900822
Journal Information:
Materials Today Physics, Journal Name: Materials Today Physics Journal Issue: C Vol. 27; ISSN 2542-5293
Publisher:
ElsevierCopyright Statement
Country of Publication:
Netherlands
Language:
English

References (54)

High Thermoelectric Performance in PbTe Due to Large Nanoscale Ag2Te Precipitates and La Doping journal November 2010
High‐Density Frenkel Defects as Origin of N‐Type Thermoelectric Performance and Low Thermal Conductivity in Mg 3 Sb 2 ‐Based Materials journal January 2021
Isotropic Conduction Network and Defect Chemistry in Mg 3+ δ Sb 2 -Based Layered Zintl Compounds with High Thermoelectric Performance journal September 2016
Improvement of Low‐Temperature zT in a Mg 3 Sb 2 –Mg 3 Bi 2 Solid Solution via Mg‐Vapor Annealing journal July 2019
Metallic n‐Type Mg 3 Sb 2 Single Crystals Demonstrate the Absence of Ionized Impurity Scattering and Enhanced Thermoelectric Performance journal March 2020
Thermoelectric Property Studies on Cu-Doped n-type CuxBi2Te2.7Se0.3 Nanocomposites journal June 2011
Thinking Like a Chemist: Intuition in Thermoelectric Materials journal April 2016
The Origin of Ultralow Thermal Conductivity in InTe: Lone-Pair-Induced Anharmonic Rattling journal February 2016
Rapid One‐Step Synthesis and Compaction of High‐Performance n‐Type Mg 3 Sb 2 Thermoelectrics journal January 2020
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Phase Boundary Mapping to Obtain n-type Mg3Sb2-Based Thermoelectrics journal January 2018
An Unlikely Route to Low Lattice Thermal Conductivity: Small Atoms in a Simple Layered Structure journal September 2018
Next-generation thermoelectric cooling modules based on high-performance Mg3(Bi,Sb)2 material journal January 2022
Joint effect of magnesium and yttrium on enhancing thermoelectric properties of n-type Zintl Mg3+Y0.02Sb1.5Bi0.5 journal March 2019
Lone-pair electrons induced anomalous enhancement of thermal transport in strained planar two-dimensional materials journal August 2018
First principles phonon calculations in materials science journal November 2015
Anisotropic Structural Collapse of Mg 3 Sb 2 and Mg 3 Bi 2 at High Pressure journal January 2021
Synergistically Optimizing Carrier Concentration and Decreasing Sound Velocity in n-type AgInSe 2 Thermoelectrics journal September 2019
Efficient Sc-Doped Mg 3.05– x Sc x SbBi Thermoelectrics Near Room Temperature journal October 2019
Rationally Designing High-Performance Bulk Thermoelectric Materials journal August 2016
On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A = K, Rb, Cs) journal June 2013
Multiple-Filled Skutterudites: High Thermoelectric Figure of Merit through Separately Optimizing Electrical and Thermal Transports journal May 2011
Intrinsic Rattler-Induced Low Thermal Conductivity in Zintl Type TlInTe 2 journal March 2017
Significant Role of Mg Stoichiometry in Designing High Thermoelectric Performance for Mg 3 (Sb,Bi) 2 -Based n-Type Zintls journal January 2018
High-performance bulk thermoelectrics with all-scale hierarchical architectures journal September 2012
Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals journal April 2014
Complex thermoelectric materials journal February 2008
Avoided crossing of rattler modes in thermoelectric materials journal August 2008
Giant anharmonic phonon scattering in PbTe journal June 2011
Copper ion liquid-like thermoelectrics journal March 2012
Suppression of thermal conductivity by rattling modes in thermoelectric sodium cobaltate journal August 2013
Orbitally driven giant phonon anharmonicity in SnSe journal October 2015
Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric Mg3Sb2 and related materials journal November 2018
Maximizing the performance of n-type Mg3Bi2 based materials for room-temperature power generation and thermoelectric cooling journal March 2022
Phonon-engineered extreme thermal conductivity materials journal March 2021
Lone pair electrons minimize lattice thermal conductivity journal January 2013
Band engineering in Mg 3 Sb 2 by alloying with Mg 3 Bi 2 for enhanced thermoelectric performance journal January 2018
Alloy scattering of phonons journal January 2020
Mg 3 (Bi,Sb) 2 single crystals towards high thermoelectric performance journal January 2020
Phonon engineering through crystal chemistry journal January 2011
All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance journal January 2013
Hybrid functionals based on a screened Coulomb potential journal May 2003
Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg 3 Sb 2 -based materials journal September 2017
Projector augmented-wave method journal December 1994
Role of Lone-Pair Electrons in Producing Minimum Thermal Conductivity in Nitrogen-Group Chalcogenide Compounds journal November 2011
Convergence of Conduction Bands as a Means of Enhancing Thermoelectric Performance of n -Type Mg 2 Si 1 − x Sn x Solid Solutions journal April 2012
Phonon Lifetime Investigation of Anharmonicity and Thermal Conductivity of UO 2 by Neutron Scattering and Theory journal April 2013
Phonon Lifetime Observation in Epitaxial ScN Film with Inelastic X-Ray Scattering Spectroscopy journal June 2018
Soft anharmonic phonons and ultralow thermal conductivity in Mg 3 (Sb, Bi) 2 thermoelectrics journal May 2021
Cubic AgPbmSbTe2+m: Bulk Thermoelectric Materials with High Figure of Merit journal February 2004
3D charge and 2D phonon transports leading to high out-of-plane ZT in n-type SnSe crystals journal May 2018
High thermoelectric performance in low-cost SnS 0.91 Se 0.09 crystals journal September 2019
High thermoelectric cooling performance of n-type Mg 3 Bi 2 -based materials journal July 2019
High thermoelectric performance realized through manipulating layered phonon-electron decoupling journal March 2022

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