36 citations · 108 across the 7 of their papers we have counts for
7 papers
Theoretical Study on the Structural and Thermodynamic Properties of U-He compounds under High Pressure
Ye Cao, Hongxing Song, Xiaozhen Yan +6
Uranium is considered as a very important nuclear energy material because of the huge amount of energy released. As the main products of spontaneous decay of uranium, helium is dif…
Interplay of anionic quasi-atom and interstitial point defects in electrides: abnormal interstice occupation and colossal charge state of point defects in dense FCC-lithium
L. Zhang, Q. Wu, S. Li +4
Electrides are an emerging class of materials with highly-localized electrons in the interstices of a crystal that behave as anions. The presence of these unusual interstitial quas…
Prediction of Stable Ground-State Binary Sodium-Potassium Interalkalis under High Pressures
Yangmei Chen, Xiaozhen Yan, Huayun Geng +6
The complex structures and electronic properties of alkali metals and their alloys provide a natural laboratory for studying the interelectronic interactions of metals under compre…
Prediction of the Reactivity of Argon with Xenon under High Pressure
Xiao Z. Yan, Yang M. Chen, Hua Y. Geng
Pressure significantly modifies the microscopic interactions in condense phase, leading to new patterns of bonding and unconventional chemistry. Both argon and xenon possess closed…
Predicted novel insulating electride compound between alkali metals lithium and sodium under high pressure
Yang-Mei Chen, Hua Y. Geng, Xiao-Zhen Yan +3
The application of high pressure can fundamentally modify the crystalline and electronic structures of elements as well as their chemical reactivity, which could lead to the format…
Prediction of Stable Ground-State Lithium Polyhydrides under High Pressures
Yangmei Chen, Hua Y. Geng, Xiaozhen Yan +3
Hydrogen-rich compounds are important for understanding the dissociation of dense molecular hydrogen, as well as searching for room temperature Bardeen-Cooper-Schrieffer (BCS) supe…
Compression and phase diagram of lithium hydrides at elevated pressures and temperatures by first-principles calculations
Yang M. Chen, Xiang R. Chen, Qiang Wu +4
High pressure and high temperature properties of AB (A = Li, Li; B = H, D, T) are investigated with first-principles method comprehensively. It is found that the H su…