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Fracture toughness of thermoelectric materials

https://doi.org/10.1016/j.mser.2021.100607

Li, Guodong; An, Qi; Duan, Bo; Borgsmiller, Leah; Malki, Muath Al; Agne, Matthias; Aydemir, Umut; Zhai, Pengcheng; Zhang, Qingjie; Morozov, Sergey I.; et al (April 2021, Materials Science and Engineering: R: Reports)
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Origins of ultralow thermal conductivity in 1-2-1-4 quaternary selenides

https://doi.org/10.1039/c8ta09660k

Kuo, Jimmy Jiahong; Aydemir, Umut; Pöhls, Jan-Hendrik; Zhou, Fei; Yu, Guodong; Faghaninia, Alireza; Ricci, Francesco; White, Mary Anne; Rignanese, Gian-Marco; Hautier, Geoffroy; et al (February 2019, Journal of Materials Chemistry A)

Engineering the thermal properties in solids is important for both fundamental physics ( e.g. electric and phonon transport) and device applications ( e.g. thermal insulating coating, thermoelectrics). In this paper, we report low thermal transport properties of four selenide compounds (BaAg 2 SnSe 4 , BaCu 2 GeSe 4 , BaCu 2 SnSe 4 and SrCu 2 GeSe 4 ) with experimentally-measured thermal conductivity as low as 0.31 ± 0.03 W m −1 K −1 at 673 K for BaAg 2 SnSe 4 . Density functional theory calculations predict κ < 0.3 W m −1 K −1 for BaAg 2 SnSe 4 due to scattering from weakly-bonded Ag–Ag dimers. Defect calculations suggest that achieving high hole doping levels in these materials could be challenging due to monovalent ( e.g. , Ag) interstitials acting as hole killers, resulting in overall low electrical conductivity in these compounds.
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Mechanical properties in thermoelectric oxides: Ideal strength, deformation mechanism, and fracture toughness

https://doi.org/10.1016/j.actamat.2018.02.063

Li, Guodong; Aydemir, Umut; Morozov, Sergey I.; Miller, Samuel A.; An, Qi; Goddard, William A.; Zhai, Pengcheng; Zhang, Qingjie; Snyder, G. Jeffrey (May 2018, Acta Materialia)

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Quaternary Pavonites A _1+x Sn _2–x Bi _5+x S ₁₀ (A ⁺ = Li ⁺ , Na ⁺ ): Site Occupancy Disorder Defines Electronic Structure

https://doi.org/10.1021/acs.inorgchem.7b03091

Khoury, Jason F.; Hao, Shiqiang; Stoumpos, Constantinos C.; Yao, Zhenpeng; Malliakas, Christos D.; Aydemir, Umut; Slade, Tyler J.; Snyder, G. Jeffrey; Wolverton, Chris; Kanatzidis, Mercouri G. (February 2018, Inorganic Chemistry)

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Polycrystalline ${ZrTe}_{5}$ Parametrized as a Narrow-Band-Gap Semiconductor for Thermoelectric Performance

https://doi.org/10.1103/PhysRevApplied.9.014025

Miller, Samuel A.; Witting, Ian; Aydemir, Umut; Peng, Lintao; Rettie, Alexander J.; Gorai, Prashun; Chung, Duck Young; Kanatzidis, Mercouri G.; Grayson, Matthew; Stevanović, Vladan; et al (January 2018, Physical Review Applied)

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