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20012026
most citedA first-principles study of the structure and lattice dielectric response of CaCu{3}Ti{4}O{12}

345 citations · 3.8k across the 135 of their papers we have counts for

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Showing 2021Show all

5 papers · 1 filter

cond-mat.str-el2021★ 6 cited

Projected entangled pair states study of anisotropic-exchange magnets on triangular lattice

Meng Zhang, Chao Wang, Shaojun Dong +3

The anisotropic-exchange spin-1/2 model on a triangular lattice has been used to describe the rare-earth chalcogenides, which may have exotic ground states. We investigate the quan…

quant-ph2021★ 2 cited

Simulation of the Ring-exchange Models with Projected Entangled Pair States

Chao Wang, Shaojun Dong, Yongjian Han +1

Algorithms to simulate the ring-exchange models using the projected entangled pair states (PEPS) are developed. We generalize the imaginary time evolution (ITE) method to optimize…

cond-mat.str-el2021

Bridging the Gap between Deep Learning and Frustrated Quantum Spin System for Extreme-scale Simulations on New Generation of Sunway Supercomputer

Mingfan Li, Junshi Chen, Qian Xiao +7

Efficient numerical methods are promising tools for delivering unique insights into the fascinating properties of physics, such as the highly frustrated quantum many-body systems.…

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 and NaYbO

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

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