8 papers
Microscopic Origin of the Ultralow Lattice Thermal Conductivity in Vacancy-Ordered Halide Double Perovskites Cs ( = Zr, Pd, Sn, Te, Hf, and Pt; = Cl, Br, and I)
Lingzhi Cao, Yateng Wang, Zhonghao Xia +1
Vacancy-ordered halide double perovskites Cs have recently attracted significant attention due to their intrinsically ultralow lattice thermal conductivity ($κ_{\mathrm{L}…
Data-Driven Exploration and Insights into Temperature-Dependent Phonons in Inorganic Materials
Huiju Lee, Zhi Li, Jiangang he +1
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite adv…
Applicability of Electrical Conductivity Ratio Method to Complicated Band Structure and the Carrier Scattering Mechanisms of SnSe
Pan Ren, Junling Gao, Guiying Xu +7
The electrical conductivity ratio (ECR) method can be used to analyze carrier scattering mechanism (CSM) without the need of magenetic transport measurements. In this work, the app…
Strong Intra- and Interchain Orbital Coupling Leads to Multiband and High Thermoelectric Performance in NaAu ( = P, As, Sb, and Bi)
Zhonghao Xia, Zhilong Yang, Yali Yang +2
The intrinsic coupling among electrical conductivity (), Seebeck coefficient (), and lattice thermal conductivity () imposes a fundamental limit on the dime…
Synergetic Enhancement of Power Factors and Suppression of Lattice Thermal Conductivities via Biaxial Strain in ScAgSe and TmAgTe
Wu Xiong, Zhongjuan Han, Zhonghao Xia +2
The challenge of achieving high thermoelectric (TE) performance is mainly from the entanglement among Seebeck coefficient (), electrical conductivity (), and lattice thermal…
Thermoelectric Properties of Copper-based Chalcopyrite Semiconductors Cu ( = Al, Ga, and In; = S, Se, and Te) from First-Principles Calculations
Wu Xiong, Zhonghao Xia, Zhongjuan Han +2
Copper-based chalcopyrite semiconductors have attracted sustained interest owing to their promising thermoelectric (TE) performance, yet the microscopic origins of their TE behavio…