1 citations · 2 across the 11 of their papers we have counts for
12 papers
Optical-Phonon-Enabled Large Lattice Thermal Conductivity Anisotropy in Hexagonal Perovskites Cs ( = Mg, Cd; = Cl, Br, I)
Lingzhi Cao, Ying Song, Zhonghao Xia +2
Materials exhibiting strongly anisotropic lattice thermal conductivity are desirable for thermal-management applications, yet such behavior is commonly associated with layered or q…
Ultrahigh Intrinsic Hole Mobilities in N (= Mo and W) at Room Temperature
Zhongjuan Han, Rong-Tian Pang, Wu Xiong +3
High-mobility -type semiconductors are essential for advanced electronic devices but remain scarce. Here, using a hierarchical screening framework that combines first-principles…
Stacking-dependent thermoelectric transport in layered Sc_2Si_2Te_6 from first principles
Zhongjuan Han, Wu Xiong, Zhonghao Xia +2
Stacking polymorphism is a common characteristic of van der Waals layered materials and can substantially modify their physical properties. Here, based on first-principles calculat…
Weak Polar Optical Phonon Scattering Decouples Electron and Phonon Transport in Layered Thermoelectric Materials
Zhonghao Xia, Michele Reticcioli, Yateng Wang +3
High-performance thermoelectric (TE) materials are crucial for efficient waste-heat recovery and solid-state cooling technologies. A persistent challenge in TE materials design ari…
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}}…
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 dimens…
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…
Forbidden p-d Orbital Coupling Accelerates High-Power-Factor Materials Discovery
Wu Xiong, Zhongjuan Han, Zhonghao Xia +2
The intrinsic entanglement between electrical conductivity () and the Seebeck coefficient () significantly constrains power factor (PF) enhancement in thermoelectric (TE) mat…
Stacking effects on magnetic, vibrational, and optical properties of CrSBr bilayers
Huicong Li, Yali Yang, Zhonghao Xia +4
The van der Waals layered semiconductor CrSBr, which exhibits A-type antiferromagnetism and a relatively high Néel temperature, has been successfully exfoliated into atomically thi…
Realizing Intrinsically Glass-like Thermal Transport via Weakening the Ag-Ag Bonds in Ag Octahedra
Xingchen Shen, Zhonghao Xia, Jun Zhou +4
Crystals exhibiting glass-like and low lattice thermal conductivity () are not only scientifically intriguing but also practically valuable in various applications, incl…
Hierarchy of Exchange-Correlation Functionals in Computing Lattice Thermal Conductivities of Rocksalt and Zincblende Semiconductors
Jiacheng Wei, Zhonghao Xia, Yi Xia +1
Lattice thermal conductivity () is a crucial characteristic of crystalline solids with significant implications for practical applications. While the higher order of anh…