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

7 papers

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…

cond-mat.mtrl-sci2025

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…

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

Stacking effects on magnetic, vibrational, and optical properties of CrSBr bilayers

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