Zhonghao Xia

activity

20242026

collaborators

10 papers

cond-mat.mtrl-sci2026

Ultrahigh Intrinsic Hole Mobilities in $M$ N $_{2}$ ( $M$ = Mo and W) at Room Temperature

Zhongjuan Han, Rong-Tian Pang, Wu Xiong +3

High-mobility $p$ -type semiconductors are essential for advanced electronic devices but remain scarce. Here, using a hierarchical screening framework that combines first-principles…

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2026

Microscopic Origin of the Ultralow Lattice Thermal Conductivity in Vacancy-Ordered Halide Double Perovskites Cs $_{2} B X_{6}$ ( $B$ = Zr, Pd, Sn, Te, Hf, and Pt; $X$ = Cl, Br, and I)

Lingzhi Cao, Yateng Wang, Zhonghao Xia +1

Vacancy-ordered halide double perovskites Cs $_{2} B X_{6}$ have recently attracted significant attention due to their intrinsically ultralow lattice thermal conductivity ($Îº_{\mathrm{L}…

cond-mat.mtrl-sci2025

Strong Intra- and Interchain Orbital Coupling Leads to Multiband and High Thermoelectric Performance in Na $_{2}$ Au $X$ ( $X$ = P, As, Sb, and Bi)

Zhonghao Xia, Zhilong Yang, Yali Yang +2

The intrinsic coupling among electrical conductivity ( $I ¨ $ ), Seebeck coefficient ( $S$ ), and lattice thermal conductivity ( $I^º_{L}$ ) imposes a fundamental limit on the dime…

cond-mat.mtrl-sci2025

Synergetic Enhancement of Power Factors and Suppression of Lattice Thermal Conductivities via Biaxial Strain in ScAgSe $_{2}$ and TmAgTe $_{2}$

Wu Xiong, Zhongjuan Han, Zhonghao Xia +2

The challenge of achieving high thermoelectric (TE) performance is mainly from the entanglement among Seebeck coefficient ( $S$ ), electrical conductivity ( $I ¨ $ ), and lattice thermal…

Ultrahigh Intrinsic Hole Mobilities in MN2​ (M= Mo and W) at Room Temperature

Stacking-dependent thermoelectric transport in layered Sc_2Si_2Te_6 from first principles

Weak Polar Optical Phonon Scattering Decouples Electron and Phonon Transport in Layered Thermoelectric Materials

Microscopic Origin of the Ultralow Lattice Thermal Conductivity in Vacancy-Ordered Halide Double Perovskites Cs2​BX6​ (B = Zr, Pd, Sn, Te, Hf, and Pt; X= Cl, Br, and I)

Strong Intra- and Interchain Orbital Coupling Leads to Multiband and High Thermoelectric Performance in Na2​AuX (X = P, As, Sb, and Bi)

Synergetic Enhancement of Power Factors and Suppression of Lattice Thermal Conductivities via Biaxial Strain in ScAgSe2​ and TmAgTe2​

Ultrahigh Intrinsic Hole Mobilities in $M$ N $_{2}$ ( $M$ = Mo and W) at Room Temperature

Microscopic Origin of the Ultralow Lattice Thermal Conductivity in Vacancy-Ordered Halide Double Perovskites Cs $_{2} B X_{6}$ ( $B$ = Zr, Pd, Sn, Te, Hf, and Pt; $X$ = Cl, Br, and I)

Strong Intra- and Interchain Orbital Coupling Leads to Multiband and High Thermoelectric Performance in Na $_{2}$ Au $X$ ( $X$ = P, As, Sb, and Bi)

Synergetic Enhancement of Power Factors and Suppression of Lattice Thermal Conductivities via Biaxial Strain in ScAgSe $_{2}$ and TmAgTe $_{2}$