Charge-Compensated (V, Ru) Co-Substitution in Higher Manganese Silicide Single Crystals for Enhanced Thermoelectric and Mechanical Performance
Charge-Compensated (V, Ru) Co-Substitution in Higher Manganese Silicide Single Crystals for Enhanced Thermoelectric and Mechanical Performance
复制标题
高硅化锰单晶中的电荷补偿 (V, Ru) 共取代可增强热电和机械性能
DOI：
10.1021/acsaem.2c03803
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发表时间：
2023
影响因子：
6.4
通讯作者：
Miyazaki Yuzuru
中科院分区：
文献类型：
--
作者：
Chauhan Nagendra Singh;Ono Ichiro;Hayashi Kei;Miyazaki Yuzuru
以MnSiγ为代表的高锰硅化物(HMS)是遵循14电子规则的Nowotny烟囱阶梯化合物，其稳定性和电学性质与每过渡金属原子数的价电子数密切相关。然而，由于HMS的非公度复合晶体结构，大多数旨在优化载流子浓度的掺杂/取代方法仍然不对称，导致对其VEC的控制有限。在这项研究中，我们提出了补偿共替代的方法来优化NCL相的热电性能，并通过用布里奇曼法生长的部分替代的(Mn1-x-yVxRuy)Siγ单晶中的[Mn]子系统与等价的V(p型)和Ru(n型)掺杂的共替代来证明它的有效性。利用(3+1)维超空间方法对衍射图进行勒贝尔分析，精确确定了调制矢量分量(γ)，并将其与合成样品的电输运和调制矢量分量进行了关联。在垂直于c轴方向，即沿解理面上，通过(V，Ru)共取代，HMS单晶的热电性能和力学性能得到了显著的提高。电荷补偿和晶格热导率的协同降低导致了在823K时的峰值热电优值(ZT)为0.6(±0.1)，与原始的∼单晶相比∼提高了250%。
Higher manganese silicides (HMSs) represented as MnSiγare generically Nowotny chimney–ladder (NCL) compounds that obey the 14-electron rule due to which their stability and electrical properties are intimately related to the valence electron count (VEC) per number of transition metal atoms. However, owing to the incommensurate composite crystal structure of HMS, most doping/substitution approaches aimed at carrier concentration optimization had remained skewed, leading to limited control over its VEC. In this study, we propose the compensated co-substitution approach for the optimization of thermoelectric properties in NCL phases and demonstrate its efficacy by the co-substitution of the [Mn] subsystem with aliovalent V (p-type) and Ru (n-type) dopants in partially substituted (Mn1–x–yVxRuy)Siγsingle crystals melt grown by the Bridgman method. The modulation vector component (γ) was accurately determined by the Le Bail analysis of the diffraction pattern using a (3 + 1) dimensional superspace approach and is correlated with the electrical transport and VEC of the synthesized samples. A remarkable enhancement in thermoelectric and mechanical performance was attained for the HMS single crystals upon (V, Ru)co-substitution in the direction perpendicular to thec-axis, i.e., along the cleavage plane. The charge compensation and synergistic reduction in lattice thermal conductivity thus result in a peak thermoelectric figure of merit (zT) of ∼0.6 (±0.1) at 823 K, which corresponds to ∼250% enhancement when compared to the pristine HMS single crystal.
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影响因子：
3.2
作者：
T. Dasgupta;J. Etourneau;B. Chevalier;S. Matar;A. Umarji
通讯作者：
T. Dasgupta;J. Etourneau;B. Chevalier;S. Matar;A. Umarji
影响因子：
1.5
作者：
Y. Miyazaki
通讯作者：
Y. Miyazaki
调节载流子浓度和显着电子声子相互作用的 Cr 掺杂和 Cr-Fe 双掺杂高锰硅化物的热电性能。
影响因子：
9.5
作者：
Quansheng Guo;Wenhao Zhang;Zihang Liu;Xiuwei Fu;S. Le Tonquesse;N. Sato;Hyoung;K. Shimamura;D. Berthebaud;T. Mori
通讯作者：
T. Mori
实现部分取代的高硅化锰晶体的热电性能增强
DOI：
--
发表时间：
2022
期刊：
影响因子：
--
作者：
N. S. Chauhan;I. Ono;K. Hayashi;and Y. Miyazaki
通讯作者：
and Y. Miyazaki
化学计量和工作温度老化对热电高锰硅化物的影响
影响因子：
8.6
作者：
S. Le Tonquesse;L. Joanny;Quansheng Guo;E. Elkaim;V. Demange;D. Berthebaud;T. Mori;M. Pasturel;C. Prestipino
通讯作者：
C. Prestipino