33 citations · 36 across the 3 of their papers we have counts for
4 papers · 1 filter
Depositing boron on Cu(111): Borophene or boride?
Xiao-Ji Weng, Jie Bai, Jingyu Hou +7
Large-area single-crystal surface structures were successfully prepared on Cu(111) substrate with boron deposition, which is critical for prospective applications. However, the pro…
Negative linear compressibility and unusual dynamic behaviors of NaB3
Xin-Ling He, Shu-Ning Pan, Yue Chen +7
First-principles calculations reveal that sodium boride (NaB3) undergoes a phase transition from a tetragonal P4/mbm phase to an orthorhombic Pbam phase at about 16 GPa, accompanie…
Helium Induced Nitrogen Salt at High Pressure
Jingyu Hou, Xiao-Ji Weng, Artem R. Oganov +6
The energy landscape of helium-nitrogen mixtures is explored by ab initio evolutionary searches, which predicted several stable helium-nitrogen compounds in the pressure range from…
Magnetic borophenes from evolutionary search
Meng-Hong Zhu, Xiao-Ji Weng, Guoying Gao +9
A computation methodology based on ab initio evolutionary algorithms and the spin-polarized density functional theory was developed to predict two-dimensional (2D) magnetic materia…