Mingzhe Liu

Understanding photoluminescence of Cs2ZrCl6 doped with post-transition-metal i

C. Duan, P. A. Tanner, Chonggeng Ma, 2022, Physical Review B.

Rationalizing the Photoluminescence of Bi3+ and Sb3+ in Double Perovskite Halide Crystals

C. Duan, P. A. Tanner, Chonggeng Ma, 2021, The Journal of Physical Chemistry C.

Defect levels of 3dn transition-metal series in wide-gap oxide and fluoride insulators: A first-principles study

C. Duan, Chonggeng Ma, Xiantao Wei, 2022, Physical Review B.

First-principles study of Ti-doped sapphire. I. Formation and optical transition properties of titanium pairs

C. Duan, M. Yin, Lixin Ning, 2021, Physical Review B.

High-precision measurements and first-principles explanation of the temperature-dependent C13

Temperature-dependent behaviors of single spin defects in solids determined with Hz-level precision

F. Shi, Q. Shi, P. Yu, 2022, 2212.02849.

Luminescence Mechanism of ns2 Ions in Cs2(Sn/Hf)Cl6 Revealed by First-Principles Calculations

Mingzhe Liu, M. Yin, Chang-Kui Duan, 2023, The Journal of Physical Chemistry C.

First-principles rationalization of self-reduction and lanthanide defect levels in SrB4O7<

Haoming Xu, Mingzhe Liu, M. Yin, 2023, Physical Review B.

First-principles investigation of the impact of stress and lattice vibration on the hyperfine interactions of the nitrogen-vacancy center in diamond

Tianyu Xie, Mingzhe Liu, Chang-Kui Duan, 2023, Physical Review B.