185 citations · 1.2k across the 25 of their papers we have counts for
6 papers · 1 filter
Superhard and Superconducting B6C
Kang Xia, Mengdong Ma, Cong Liu +7
Crystal structure searching and ab initio calculations have been used here to explore low-energy structures of boron carbides under high pressure. Under pressures of 85-110 GPa, a…
Nonsymmorphic symmetry protected node-line semimetal in the trigonal YH3
Dexi Shao, Tong Chen, Qinyan Gu +5
Using ab initio calculations based on density-functional theory and effective model analysis, we propose that the trigonal YH3(Space Group: P-3c1) at ambient pressure is a node-lin…
High temperature superconducting phase of HBr under pressure predicted by first-principles calculations
Qinyan Gu, Pengchao Lu, Kang Xia +2
The high pressure phases of HBr are explored with an ab initio crystal structure search. By taking into account the contribution of zero-point energy (ZPE), we find that the P4/nmm…
Silicon clathrates for photovoltaics predicted by a two-step crystal structure search
Juefei Wu, Hao Gao, Kang Xia +2
Silicon in a cubic diamond structure currently plays a significant role in the photovoltaic industry. However, the intrinsic band structures of crystalline silicon restrict its sun…
Direct Visualization of 2D Topological Insulator in Single-layer 1T'-WTe2
Zhen-Yu Jia, Ye-Heng Song, Xiang-Bing Li +9
We grow nearly freestanding single-layer 1T'-WTe2 on graphitized 6H-SiC(0001) by using molecular beam epitaxy (MBE), and characterize its electronic structure with scanning tunneli…
Pressure-induced metallization and superconducting phase in ReS2
Dawei Zhou, Yonghui Zhou, Chunying Pu +10
Among the family of TMDs, ReS2 takes a special position, which crystalizes in a unique distorted low-symmetry structure at ambient conditions. The interlayer interaction in ReS2 is…