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Realizing n-type CdSb with promising thermoelectric performance

Journal of Materials Science & Technology 2023年第13期144卷 54-61页

作者： Peng Zhao Honghao Yao Shizhen Zhi Xiaojing Ma Zuoxu Wu Yijie Liu Xinyu Wang Li Yin Zongwei Zhang Shuaihang Hou Xiaodong Wang Siliang Chen Chen Chen Xi Lin Haoliang Liu Xingjun Liu Feng Cao Qian Zhang Jun Mao School of Materials Science and Engineering and Institute of Materials Genome&Big DataHarbin Institute of Technology(Shenzhen)Shenzhen 518055China School of Science Harbin Institute of Technology(Shenzhen)Shenzhen 518055China State Key Laboratory of Advanced Welding and Joining Harbin Institute of TechnologyHarbin 150001China

Realizing high performance in both n-type and p-type materials is essential for designing efficient ther-moelectric ***,the doping bottleneck is often encountered,i.e.,only one type of conduction can be *** one example,p-type CdSb with high thermoelectric performance has been discovered for several decades,while its n-type counterpart has rarely been *** this work,the calculated band structure of CdSb demonstrates that the valley degeneracy is as large as ten for the conduction band,and it is only two for the valence ***,the n-type CdSb can potentially realize an ex-ceptional thermoelectric ***,the n-type conduction has been successfully real-ized by tuning the stoichiometry of *** further doping indium at the Cd site,an improved room-temperature electron concentration has been *** modeling predicts an optimal electron con-centration of∼2.0×1019 cm−3,which is higher than the current experimental ***,future optimization of the n-type CdSb should mainly focus on identifying practical approaches to optimize the electron concentration.

关键词： Thermoelectric materials n-type CdSb Indium doping band degeneracy

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Leveraging crystal symmetry for thermoelectric performance optimization in cubic GeSe

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Rare Metals 2024年第10期43卷 5332-5345页

作者： Yu-Geng Li Yong-Qiang Liu Mo-Ran Wang Wen-Qing Yao Xiao-Huan Luo Tu Lyu Wei-Qin Ao Chao-Hua Zhang Fu-Sheng Liu Li-Peng Hu College of Materials Science and Engineering Institute of Deep Earth Sciences and Green EnergyShenzhen Key Laboratory of Special Functional MaterialsGuangdong Provincial Key Laboratory of Deep Earth Sciences and Geothermal Energy Exploitation and UtilizationGuangdong Research Center for Interfacial Engineering of Functional MaterialsShenzhen UniversityShenzhen 518060China

In thermoelectrics,the manipulation of crystal symmetry is instrumental in optimizing the electrical and thermal transport *** this context,the present study explored the largely overlooked high-symmetry cubic GeSe,which presented larger band degeneracy than its widely studied medium-symmetry rhombohedral *** have successfully stabilized cubic Ge Se a ambient conditions through co-alloying with AgSnTe_(2)and *** incorporation of AgSnTe_(2)initiates the transition of GeSe from a low-symmetry orthorhombic to a mediumsymmetry rhombohedral phase,culminating in a highsymmetry cubic structure,underpinned by variation in chemical bonding *** this,the persistence of Ag_(2)Te precipitates impedes the total elimination of the residual orthorhombic phase due to the disparate chemical bonding mechanism between Ag_(2)Te and *** Bi into the rhombohedral-dominated(GeSe)_(0.7)(AgSnTe_(2))_(0.3)matrix leads to the dissolution of Ag_(2)Te precipitates,elimination of the residual orthorhombic phase,and the subsequent stabilization of the exclusive cubic *** to its orthorhombic counterpart,the cubic GeSe exhibits diminished bandgap and Ge vacancy formation energy,amplified band degeneracy,reduced sound velocity,intensified lattice anharmonicity and multiple phonon scattering centres engendering elevated carrier concentration and density-ofstates effective mass,alongside restrained lattice therma ***,a peak zT of 0.46 at 573 K is attained for cubic(Ge_(0.7)Bi_(0.3)Se)_(0.7)(AgSnTe_(2))_(0.3),signifying a ninefold increase relative to the initial orthorhombic Ge *** results illuminate the critical role of crystal symmetry manipulation in advancing the thermoelectric performance.

关键词： Thermoelectric GeSe Crystal symmetry High-entropy alloying band degeneracy

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Pressure induced convergence of conduction bands in Al doped Mg_(2)Si: Experiment and theory

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Journal of Materiomics 2019年第1期5卷 81-87页

作者： Jialiang Li Xiaolian Zhang Bo Duan Yunlong Cui Houjiang Yang Hongtao Wang Junchao Li Xiaojun Hu Gang Chen Pengcheng Zhai Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of TechnologyWuhan430070China High Pressure High Temperature Institute of Physics Wuhan University of TechnologyWuhan430070China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China

High-pressure and high-temperature(HPHT)synthesis provides an effective way to tune the band structure of materials and improve their electronic *** investigate the influence of synthesis pressure on electronic properties,Mg_(1.97)Al_(0.03)Si samples were synthesized using the HPHT *** maximum effective mass 0.92me is obtained for the sample prepared with the synthesis pressure of 3 GPa,leading to the biggest Seebeck coefficient201.3 mV/K at room ***,the 3 GPa sample obtains the higher electron carrier concentration and electrical conductivity,resulting in nearly overall enhancement of power *** Density Functional Theory(DFT)calculations evidences that the Conduction bands Minimum(CBM)can be tuned effectively by applied pressure and the convergence of the CBM leads to a larger effective mass of DOS,which are beneficial to the enhancement of power *** results indicate that high-pressure is a powerful tool to tune Mg_(1.97)Al_(0.03)Si band structures.

关键词： Mg2Si High-pressure synthesis band degeneracy Thermoelectric materials

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Encyclopedia of emergent particles in three-dimensional crystals

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Science Bulletin 2022年第4期67卷 375-380,M0003页

作者： Zhi-Ming Yu Zeying Zhang Gui-Bin Liu Weikang Wu Xiao-Ping Li Run-Wu Zhang Shengyuan A.Yang Yugui Yao Centre for Quantum Physics Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement(MOE)School of PhysicsBeijing Institute of TechnologyBeijing 100081China Beijing Key Laboratory of Nanophotonics and Ultrafine Optoelectronic Systems School of PhysicsBeijing Institute of TechnologyBeijing 100081China College of Mathematics and Physics Beijing University of Chemical TechnologyBeijing 100029China Research Laboratory for Quantum Materials Singapore University of Technology and DesignSingapore 487372Singapore

The past decade has witnessed a surge of interest in exploring emergent particles in condensed matter *** particles,emerged as excitations around exotic band degeneracy points,continue to be reported in real materials and artificially engineered systems,but so far,we do not have a complete picture on all possible types of particles that can be ***,via systematic symmetry analysis and modeling,we accomplish a complete list of all possible particles in time-reversal-invariant *** includes both spinful particles such as electron quasiparticles in solids,and spinless particles such as phonons or even excitations in electric-circuit and mechanical *** establish detailed correspondence between the particle,the symmetry condition,the effective model,and the topological *** obtained encyclopedia concludes the search for novel emergent particles and provides concrete guidance to achieve them in physical systems.

关键词： Emergent particles Topological semimetals band degeneracy Electronic materials and metamaterials Effective k·p model

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