Zhonghao Xia

activity

20242026

most citedThermoelectric Properties of Copper-based Chalcopyrite Semiconductors Cu

M X_{2}

(

M

= Al, Ga, and In;

X

= S, Se, and Te) from First-Principles Calculations

1 citations · 1 across the 5 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

8 papers · 1 filter

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 ($κ_{\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 ( $σ$ ), Seebeck coefficient ( $S$ ), and lattice thermal conductivity ( $κ_{L}$ ) imposes a fundamental limit on the dimens…

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 ( $σ$ ), and lattice thermal…

cond-mat.mtrl-sci2025★ 1 cited

Thermoelectric Properties of Copper-based Chalcopyrite Semiconductors Cu $M X_{2}$ ( $M$ = Al, Ga, and In; $X$ = 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…

cond-mat.mtrl-sci2025

Forbidden p-d Orbital Coupling Accelerates High-Power-Factor Materials Discovery

Wu Xiong, Zhongjuan Han, Zhonghao Xia +2

The intrinsic entanglement between electrical conductivity ( $σ$ ) and the Seebeck coefficient ( $S$ ) significantly constrains power factor (PF) enhancement in thermoelectric (TE) mat…

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​

Thermoelectric Properties of Copper-based Chalcopyrite Semiconductors CuMX2​ (M = Al, Ga, and In; X = S, Se, and Te) from First-Principles Calculations

Forbidden p-d Orbital Coupling Accelerates High-Power-Factor Materials Discovery

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 $_{2}$

Thermoelectric Properties of Copper-based Chalcopyrite Semiconductors Cu $M X_{2}$ ( $M$ = Al, Ga, and In; $X$ = S, Se, and Te) from First-Principles Calculations