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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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6 papers · 1 filter

cond-mat.mtrl-sci2023★ 1 cited

Tuning of Berry Curvature Dipole in TaAs slabs: An effective Route to Enhance Nonlinear Hall Response

Hongsheng Pang, Gan Jin, Lixin He

In materials without inversion symmetry, Berry curvature dipole (BCD) arises from the uneven distribution of Berry curvature in momentum space. This leads to nonlinear anomalous Ha…

physics.optics2023

Efficient spectral broadening and few-cycle pulse generation with multiple thin water films

Jiacheng Huang, Xiang Lu, Feilong Hu +6

High-energy, few-cycle laser pulses are essential for numerous applications in the fields of ultrafast optics and strong-field physics, due to their ultrafast temporal resolution a…

physics.comp-ph2023

Sub-quadratic scaling real-space random-phase approximation correlation energy calculations for periodic systems with numerical atomic orbitals

Rong Shi, Peize Lin, Min-Ye Zhang +2

The random phase approximation (RPA) as formulated as an orbital-dependent, fifth-rung functional within the density functional theory (DFT) framework offers a promising approach f…

cond-mat.mtrl-sci2023★ 17 cited

PYATB: An Efficient Python Package for Electronic Structure Calculations Using Ab Initio Tight-Binding Model

Gan Jin, ongsheng Pang, Yuyang Ji +2

We present PYATB, a Python package designed for computing band structures and related properties of materials using the ab initio tight-binding Hamiltonian. The Hamiltonian is dire…

cond-mat.mtrl-sci2023★ 3 cited

Efficient hybrid density functional calculation by deep learning

Zechen Tang, He Li, Peize Lin +7

Hybrid density functional calculation is indispensable to accurate description of electronic structure, whereas the formidable computational cost restricts its broad application. H…

cond-mat.mtrl-sci2023

Peculiar band geometry induced giant shift current in ferroelectric SnTe monolayer

Gan Jin, Lixin He

The bulk photovoltaic effect (BPVE) refers to the phenomenon of generating photocurrent or photovoltage in homogeneous noncentrosymmetric materials under illumination, and the intr…