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5 papers
Pressure and doping control of magnetic order and metallization in Ruddlesden-Popper La2NiO4
Han-Yu Wang, Shu-Hong Tang, Xiao-Teng Huang +7
The discovery of superconductivity in multilayer nickelates under pressure has intensified interest in understanding the magnetic and electronic properties of Ruddlesden-Popper nic…
Edge Exposure as the Trigger for Structural Instability in LP-N and HLP-N
Guo Chen, Xianlong Wang
LP-N and HLP-N are promising high-energy-density materials. However, these materials synthesized under high pressure cannot be maintained stable at ambient conditions. The mechanis…
Unsaturated Dinitrogen Difluoride under Pressure: toward high-Energy Density Polymerized NF Chains
Guo Chen, Ling Lin, Chengfeng Zhang +3
Based on first-principles calculations and ab initio molecular dynamics simulations, the polymerisation of the unsaturated cis dinitrogen-difluoride (cis-N2F2) molecular compound i…
Realizing stable zig-zag polymeric nitrogen chains in P-N compounds
Chengfeng zhang, Guo Chen, Yanfeng Zhang +2
The zig-zag Nitrogen (N) chain similar to the Ch-N structure has long been considered a potential high energy density structure. However, all previously predicted zig-zag N chain s…
Charge transfer induced cubic gauche nitrogen from azides
Tingting Ye, Yuxuan Xu, Guo Chen +5
Cubic gauche nitrogen (cg-N) with a three-dimensional network of N-N single bonds attracted lots of attentions in last decades, since it theoretically has five times larger energy…