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9 papers · 2 filters
New spin injection scheme based on spin gapless semiconductors: A first-principles study
G. Z. Xu, X. M. Zhang, Z. P. Hou +8
Spin injection efficiency based on conventional and/or half-metallic ferromagnet/semiconductor is greatly limited by the Schmidt obstacle due to conductivity mismatch, here we prop…
Single Photon Emission from Single Perovskite Nanocrystals of Cesium Lead Bromide
Fengrui Hu, Huichao Zhang, Chun Sun +7
The power conversion efficiency of photovoltaic devices based on semiconductor perovskites has reached ~20% after just several years of research efforts. With concomitant discoveri…
High-energy-density and superhard nitrogen-rich B-N compounds
Yinwei Li, Jian Hao, Hanyu Liu +2
The pressure-induced transformation of diatomic nitrogen into non-molecular polymeric phases may produce potentially useful high-energy-density materials. We combine first-principl…
Crossover from Metal to Insulator in Dense Lithium-Rich Compound
Xilian Jin, Xiao-Jia Chen, Huadi Zhang +7
Crystal structures of compounds are explored through \emph{ab} \emph{initio} evolutionary methodology. Phase transition from metal to semimetal and semiconductor,…
NH: A Novel Polymeric Hydronitrogen as a High Energy Density Material
Ketao Yin, Yanchao Wang, Hanyu Liu +2
The polymeric phase of nitrogen connected by the lower (than three) order N-N bonds has been long sought after for the potential application as high energy density materials. Here…
Metallic Icosahedron Phase of Sodium at Terapascal Pressures
Yinwei Li, Yanchao Wang, Chris J. Pickard +3
Alkali metals exhibit unexpected structures and electronic behavior at high pressures. Compression of metallic sodium (Na) to 200 GPa leads to the stability of a wide-band-gap insu…