Vacancy Manipulation Induced Optimal Carrier Concentration, Band Convergence and Low Lattice Thermal Conductivity in Nano-Crystalline SnTe Yielding Superior Thermoelectric Performance

Tingdong Zhang; Wenfeng Pan; Suiting NingNing QiZhiquan ChenXianli SuXinfeng Tang

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Vacancy Manipulation Induced Optimal Carrier Concentration, Band Convergence and Low Lattice Thermal Conductivity in Nano-Crystalline SnTe Yielding Superior Thermoelectric Performance

机译：Vacancy Manipulation Induced Optimal Carrier Concentration, Band Convergence and Low Lattice Thermal Conductivity in Nano-Crystalline SnTe Yielding Superior Thermoelectric Performance

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Synergetic optimization of electrical and thermal transport properties isachieved for SnTe-based nano-crystalline materials. Gd doping is ableto suppress the Sn vacancy, which is confirmed by positron annihilationmeasurements and corresponding theoretical calculations. Hence, theoptimal hole carrier concentration is obtained, leading to the improvementof electrical transport performance and simultaneous decrease of electronicthermal conductivity. In addition, the incremental density of states effectivemass m* in SnTe is realized by the promotion of the band convergence viaGd doping, which is further confirmed by the band structure calculation.Hence, the enhancement of the Seebeck coefficient is also achieved, leadingto a high power factor of 2922 μW m~(?1) K~(?2) for Sn_(0.96)Gd_(0.04)Te at 900 K.Meanwhile, substantial suppression of the lattice thermal conductivity isobserved in Gd-doped SnTe, which is originated from enhanced phononscattering by multiple processes including mass and strain fluctuationsdue to the Gd doping, scattering of grain boundaries, nano-pores, andsecondary phases induced by Gd doping. With the decreased phonon meanfree path and reduced average phonon group velocity, a rather low latticethermal conductivity is achieved. As a result, the synergetic optimization ofthe electric and thermal transport properties contributes to a rather high ZTvalue of ≈1.5 at 900 K, leading to the superior thermoelectric performance ofSnTe-based nanoscale polycrystalline materials.

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来源
《Advanced functional materials》 |2023年第10期|2213761.1-2213761.14|共14页
作者
Tingdong Zhang; Wenfeng Pan; Suiting NingNing QiZhiquan ChenXianli SuXinfeng Tang;
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作者单位

Hubei Key Laboratory of Nuclear Solid State PhysicsSchool of Physics and TechnologyWuhan UniversityWuhan 430072, China;

Hubei Key Laboratory of Nuclear Solid State PhysicsSchool of Physics and TechnologyWuhan UniversityWuhan 430072, China, College of Basic SciencesZhengzhou University of TechnologyZhengzhou 450044, China;

State Key Laboratory of Advanced Technology for Materials Synthesisand ProcessingWuhan University of TechnologyWuhan 430070, China;

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nano-crystalline materials; positron annihilation; synergetic optimization; thermoelectric; vacancy regulation;

Vacancy Manipulation Induced Optimal Carrier Concentration, Band Convergence and Low Lattice Thermal Conductivity in Nano-Crystalline SnTe Yielding Superior Thermoelectric Performance

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