185 citations · 1.2k across the 25 of their papers we have counts for
25 papers
Critical topology and pressure-induced superconductivity in the van der Waals compound AuTe2Br
Erjian Cheng, Xianbiao Shi, Limin Yan +10
The study on quantum spin Hall effect and topological insulators formed the prologue to the surge of research activities in topological materials in the past decade. Compared to in…
Superionic silica-water and silica-hydrogen compounds under high pressure
Hao Gao, Cong Liu, Jiuyang Shi +6
Silica, water and hydrogen are known to be the major components of celestial bodies, and have significant influence on the formation and evolution of giant planets, such as Uranus…
Topological insulators in the NaCaBi family with large SOC gaps
Dexi Shao, Zhaopeng Guo, Xianxin Wu +4
By means of first-principles calculations and crystal structure searching techniques, we predict that a new NaCaBi family crystallized into the ZrBeSi-type structure (\ie $P6_{3}/m…
Enhancing Crystal Structure Prediction by decomposition methods based on graph theory
Hao Gao, Junjie Wang, Yu Han +1
Crystal structure prediction algorithms have become powerful tools for materials discovery in recent years, however, they are usually limited to relatively small systems. The main…
Pressure Engineering of the Dirac Fermions in Quasi-One-Dimensional TlMoSe
Ziwan Song, Bin Li, Chunqiang Xu +6
Topological band dispersions other than the standard Dirac or Weyl fermions have garnered the increasing interest in materials science. Among them, the cubic Dirac fermions were re…
Electron-phonon coupling and superconductivity in the doped topological-crystalline insulator (PbSn)InTe
A. Sapkota, Y. Li, B. L. Winn +12
We present a neutron scattering study of phonons in single crystals of (PbSn)InTe with (metallic, but nonsuperconducting) and (nonmetallic…
Dimensionalities and multiplicities determination of crystal nets
Hao Gao, Junjie Wang, Zhaopeng Guo +1
Low-dimensional materials have attracted significant attentions over the past decade. To discover new low-dimensional materials, high-throughout screening methods have been applied…
Superconducting single-layer T-graphene and novel synthesis routes
Qinyan Gu, Dingyu Xing, Jian Sun
Single-layer superconductors are ideal materials for fabricating superconducting nano devices. However, up to date, very few single-layer elemental superconductors have been predic…
Unusual phonon density of states and response to the superconducting transition in the In-doped topological crystalline insulator PbSnTe
Kejing Ran, Ruidan Zhong, Tong Chen +13
We present inelastic neutron scattering results of phonons in (PbSn)InTe powders, with and 0.3. The sample is a topological crystalline insu…
Evidence for a Dirac nodal-line semimetal in SrAs
Shichao Li, Zhaopeng Guo, Dongzhi Fu +11
Dirac nodal-line semimetals with the linear bands crossing along a line or loop, represent a new topological state of matter. Here, by carrying out magnetotransport measurements an…
A novel superhard tungsten nitride predicted by machine-learning accelerated crystal structure searching
Kang Xia, Hao Gao, Cong Liu +3
Transition metal nitrides have been suggested to have both high hardness and good thermal stability with large potential application value, but so far stable superhard transition m…
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…
Superconductivity Induced by High Pressure in Weyl Semimetal TaP
Yufeng Li, Yonghui Zhou, Zhaopeng Guo +13
Weyl semimetal defines a material with three dimensional Dirac cones which appear in pair due to the breaking of spatial inversion or time reversal symmetry. Superconductivity is t…
Unveiling the Charge Density Wave Inhomogeneity and Pseudogap State in 1T-TiSe2
Kai-Wen Zhang, Chao-Long Yang, Bin Lei +8
By using scanning tunneling microscopy (STM) / spectroscopy (STS), we systematically characterize the electronic structure of lightly doped 1T-TiSe2, and demonstrate the existence…
Ground state structure of polymeric carbon monoxide with high energy density
Kang Xia, Jian Sun, Chris J. Pickard +2
Crystal structure prediction methods and first-principles calculations have been used to explore low-energy structures of carbon monoxide (CO). Contrary to the standard wisdom, the…
Topological Dirac line nodes and superconductivity coexist in SnSe at high pressure
Xuliang Chen, Pengchao Lu, Xuefei Wang +15
Due to fundamental interest and potential applications in quantum computation, tremendous efforts have been invested to study topological superconductivity. However, bulk topologic…
Origin of the superconductivity of WTe2 under pressure
Pengchao Lu, Joon-Seok Kim, Jing Yang +9
Tungsten ditelluride (WTe2) has attracted significant attention due to its interesting electronic properties, such as the unsaturated magnetoresistance and superconductivity. Recen…
The large unsaturated magnetoresistance of Weyl semimetals
Yiming Pan, Huaiqiang Wang, Pengchao Lu +3
The Weyl semimetal (WSM) is a novel topological gapless state with promises exotic transport due to chiral anomaly. Recently, a family of nonmagnetic WSM candidates including TaAs,…
Pressure-induced semimetal to superconductor transition in a three-dimensional topological material ZrTe5
Yonghui Zhou, Juefei Wu, Wei Ning +15
As a new type of topological materials, ZrTe5 shows many exotic properties under extreme conditions. Utilizing resistance and ac magnetic susceptibility measurements under high pre…