24 citations · 50 across the 3 of their papers we have counts for
4 papers
First-principle calculations of plasmon excitations in graphene,silicene and germanene
Pengfei Li, Rong Shi, Peize Lin +1
Plasmon excitations in graphene, silicene and germanene are studied using linear-response time dependent density functional theory within the random phase approximation (RPA). Here…
First-principles calculations and model analysis of plasmon excitations in graphene
Pengfi Li, Xinguo Ren, Lixin He
Plasmon excitations in free-standing graphene and graphene/hexagonal boron nitride (hBN) heterostructure are studied using linear-response time-dependent density functional theory…
The origin of hyperferroelectricity in LiO (=V, Nb, Ta, Os)
Pengfei Li, Xinguo Ren, Guang-Can Guo +1
The electronic and structural properties of LiO (=V, Nb, Ta, Os) are investigated via first-principles methods. We show that LiO belong to the recently proposed hy…
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…