136 citations · 376 across the 13 of their papers we have counts for
4 papers · 1 filter
A first principles study on the electronic and magnetic properties of BaKFeAs
Jun Dai, Zhenyu Li, Jinlong Yang +1
We report a systematic first-principles study on the recent discovered superconducting BaKFeAs systems ( = 0.00, 0.25, 0.50, 0.75, and 1.00). Previous theore…
Electronic structures of organic molecule encapsulated BN nanotubes under transverse electric field
Wei He, Zhenyu Li, Jinlong Yang +1
The electronic structures of boron nitride nanotubes (BNNTs) doped by different organic molecules under a transverse electric field were investigated via first-principles calculati…
Steric Effect in Threshold Photoionization Dissociations of Serine Conformers
Shan Xi Tian, Jinlong Yang, Hai-Bei Li +3
Steric effect in the threshold dissociative ionizations of serine conformers [CH2OH-C\alphaH(NH2)-C\betaOOH] is revealed by high-level ab initio calculations combined with our newl…
Electronic structures of defective BN nanotubes under transverse electric fields
Shuanglin Hu, Zhenyu Li, X. C. Zeng +1
We investigate the electronic structures of some defective boron nitride nanotubes (BNNTs) under transverse electric fields within density-functional theory. (16,0) BNNTs with anti…