497 citations · 1k across the 14 of their papers we have counts for
14 papers
Superconductivity in graphite-diamond hybrid
Yanfeng Ge, Kun Luo, Yong Liu +8
Search for new high-temperature superconductors and insight into their superconducting mechanism are of fundamental importance in condensed matter physics. The discovery of near-ro…
Superconducting LaP2H2 with graphenelike phosphorus layers
Xing Li, Xiaohua Zhang, Aitor Bergara +3
Novel structural building blocks in compounds could induce interesting physical and chemical properties. Although phosphorus tends to form very different motifs, the existence of l…
Spin-flip-driven giant magneto-transport in A-type antiferromagnet NaCrTe2
Junjie Wang, Jun Deng, Xiaowei Liang +8
For anisotropic magneto-resistance (AMR) effect, its value synergistically depends on the magnitudes of magneto-resistance (MR) and magneto-crystalline anisotropy energy (MAE) simu…
Prediction of high-Tc superconductivity in ternary lanthanum borohydrides
Xiaowei Liang, Aitor Bergara, Xudong Wei +7
The study of superconductivity in compressed hydrides is of great interest due to measurements of high critical temperatures (Tc) in the vicinity of room temperature, beginning wit…
Discovery of carbon-based strongest and hardest amorphous material
Shuangshuang Zhang, Zihe Li, Kun Luo +22
Carbon is likely the most fascinating element of the periodic table because of the diversity of its allotropes stemming from its variable (sp, sp2, and sp3) bonding motifs. Explora…
Helium Induced Nitrogen Salt at High Pressure
Jingyu Hou, Xiao-Ji Weng, Artem R. Oganov +6
The energy landscape of helium-nitrogen mixtures is explored by ab initio evolutionary searches, which predicted several stable helium-nitrogen compounds in the pressure range from…
Strain tunable pudding-mold-type band structure and thermoelectric properties of SnP monolayer
Shasha Wei, Cong Wang, Guoying Gao
Recent studies indicated the interesting metal-to-semiconductor transition when layered bulk GeP3 and SnP3 are restricted to the monolayer or bilayer, and SnP3 monolayer has been p…
Formation of copper boride on Cu(111)
Chengguang Yue, Xiao-Ji Weng, Guoying Gao +9
Boron forms compounds with nearly all metals, with notable exception of copper and other group IB and IIB elements. Here, we report an unexpected discovery of ordered copper boride…
Superconductivity in Li-intercalated 1T-SnSe2 driven by electric-field gating
Yanpeng Song, Xiaowei Liang, Jiangang Guo +3
Creating carrier reservoirs in layered compounds can effectively tune the carrier density, which often induces a variety of emergent properties. Based on solid-ion-conductor gating…
Magnetic borophenes from evolutionary search
Meng-Hong Zhu, Xiao-Ji Weng, Guoying Gao +9
A computation methodology based on ab initio evolutionary algorithms and the spin-polarized density functional theory was developed to predict two-dimensional (2D) magnetic materia…
Fermi Surface and Carriers Compensation of pyrite-type PtBi Revealed by Quantum Oscillations
Lingxiao Zhao, Liangcai Xu, Huakun Zuo +3
Large non-saturating magnetoresistance has been observed in various materials and electron-hole compensation has been regarded as one of the main mechanisms. Here we present a deta…
Monolayer MXenes: promising half-metals and spin gapless semiconductors
Guoying Gao, Guangqian Ding, Jie Li +3
Half-metals and spin gapless semiconductors are promising candidates for spintronic applications due to the complete (100%) spin polarization of electrons around the Fermi level. B…
Thermoelectric transport in monolayer SnSe from first-principles calculations
Guangqian Ding, Guoying Gao, KailunYao
Electron-crystal and phonon-glass are regarded as two essential factors for ideal thermoelectric materials, which require both an enhanced electronic transport and a depressed phon…
High-efficient thermoelectric materials: The case of orthorhombic IV-VI compounds
Guangqian Ding, Guoying Gao, Kailun Yao
Improving the thermoelectric efficiency is one of the greatest challenges in materials science. The recent discovery of excellent thermoelectric performance in simple orthorhombic…