most citedFirst-principles LDA+U and GGA+U study of neptunium dioxide

77 citations · 215 across the 3 of their papers we have counts for

collaborators
Showing cond-mat.mtrl-sciShow all

3 papers · 1 filter

cond-mat.mtrl-sci2016★ 64 cited

A new 2D monolayer BiXene, M2C (M=Mo, Tc, Os)

Weiwei Sun, Yunguo Li, Baotian Wang +5

Note this is a rather coarse version of our manuscript since uploading tex files are necessary (we are not willing to upload all tex files). The existence of BiXenes, a new family…

cond-mat.mtrl-sci2009★ 77 cited

First-principles LDA+U and GGA+U study of neptunium dioxide

Baotian Wang, Hongliang Shi, Weidong Li +1

We have performed a systematic first-principles investigation to calculate the electronic structures, mechanical properties, and phonon dispersion curves of NpO. The local de…

cond-mat.mtrl-sci2009★ 74 cited

First-principles study of ground state properties and high pressure behavior of ThO2

Baotian Wang, Hongliang Shi, Weidong Li +1

The mechanical properties, electronic structure and phonon dispersion of ground state ThO as well as the structure behavior up to 240 GPa are studied by using first-principle…