Pengfei Li

activity

20152022

most citedFirst-principles calculations and model analysis of plasmon excitations in graphene

24 citations · 50 across the 3 of their papers we have counts for

collaborators

Showing 2015Show all

2 papers · 1 filter

cond-mat.mtrl-sci2015

The origin of hyperferroelectricity in Li $B$ O $_{3}$ ( $B$ =V, Nb, Ta, Os)

Pengfei Li, Xinguo Ren, Guang-Can Guo +1

The electronic and structural properties of Li $B$ O $_{3}$ ( $B$ =V, Nb, Ta, Os) are investigated via first-principles methods. We show that Li $B$ O $_{3}$ belong to the recently proposed hy…

cond-mat.mtrl-sci2015★ 4 cited

Large-scale ab initio simulations based on systematically improvable atomic basis

Pengfei Li, Xiaohui Liu, Mohan Chen +5

We present a first-principles computer code package (ABACUS) that is based on density functional theory and numerical atomic basis sets. Theoretical foundations and numerical techn…

The origin of hyperferroelectricity in LiBO3​ (B=V, Nb, Ta, Os)

Large-scale ab initio simulations based on systematically improvable atomic basis

The origin of hyperferroelectricity in Li $B$ O $_{3}$ ( $B$ =V, Nb, Ta, Os)