Daye Zheng

most citedFirst-principles study of magnetic structures of triangular antiferromagnets NaYbS

_{2}

and NaYbO

_{2}

1 citations · 1 across the 2 of their papers we have counts for

collaborators

3 papers

cond-mat.mtrl-sci2021

Calculation of Berry curvature using nonorthogonal atomic orbitals

Jin Gan, Daye Zheng, Lixin He

We present a derivation of the full formula to calculate the Berry curvature on non-orthogonal numerical atomic orbital (NAO) bases.Because usually, the number of NAOs is larger th…

cond-mat.mtrl-sci2021★ 1 cited

First-principles study of magnetic structures of triangular antiferromagnets NaYbS $_{2}$ and NaYbO $_{2}$

Da-Ye Zheng, Zhen-Xiong Shen, Meng Zhang +1

We investigate the magnetic interactions in triangular rare-earth delafossites materials NaYbO $_{2}$ and NaYbS $_{2}$ via first-principles calculations. The calculated Curie-Weiss tempe…

cond-mat.mtrl-sci2020

Retention and Recycling of Deuterium in Liquid Lithium-Tin Slab Studied by First-Principles Molecular Dynamics

Daye Zheng, Zhen-Xiong Shen, Mohan Chen +2

Understanding the retention and recycling of hydrogen isotopes in liquid metal plasma-facing materials such as liquid Li, Sn, and Li-Sn are of fundamental importance in designing m…

Calculation of Berry curvature using nonorthogonal atomic orbitals

First-principles study of magnetic structures of triangular antiferromagnets NaYbS2​ and NaYbO2​

Retention and Recycling of Deuterium in Liquid Lithium-Tin Slab Studied by First-Principles Molecular Dynamics

First-principles study of magnetic structures of triangular antiferromagnets NaYbS $_{2}$ and NaYbO $_{2}$