669 citations · 2.4k across the 29 of their papers we have counts for
29 papers
Synthesis of metalloborophene nanoribbons on Cu(110)
Xiao-Ji Weng, Yi Zhu, Ying Xu +5
Metalloborophene, characterized by the presence of metal-centered boron wheels denoted as M\c{opyright}Bn, has garnered considerable attention in recent years due to its versatile…
Superconductivity in graphite intercalation compounds with sodium
Chun-Mei Hao, Xing Li, Artem R. Oganov +9
The discovery of superconductivity in CaC6 with a critical temperature (Tc) of 11.5 K reignites much interest in exploring high-temperature superconductivity in graphite intercalat…
Helium-bearing superconductor at high pressure
Jingyu Hou, Xiao Dong, Artem R. Oganov +6
Helium (He) is the most inert noble gas at ambient conditions. It adopts a hexagonal close packed structure (P63/mmc) and remains in the insulating phase up to 32 TPa. In contrast,…
Ultrahigh-Pressure Magnesium Hydrosilicates as Reservoirs of Water in Early Earth
Han-Fei Li, Artem R. Oganov, Haixu Cui +3
The origin of water on the Earth is a long-standing mystery, requiring a comprehensive search for hydrous compounds, stable at conditions of the deep Earth and made of Earth-abunda…
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…
Unusual phase transition of layer-stacked borophene under pressure
Xiao-Ji Weng, QuanSheng Wu, Xi Shao +6
The 8-Pmmn borophene, a boron analogue of graphene, hosts tilted and anisotropic massless Dirac fermion quasiparticles owing to the presence of the distorted graphene-like sublatti…
Negative linear compressibility and unusual dynamic behaviors of NaB3
Xin-Ling He, Shu-Ning Pan, Yue Chen +7
First-principles calculations reveal that sodium boride (NaB3) undergoes a phase transition from a tetragonal P4/mbm phase to an orthorhombic Pbam phase at about 16 GPa, accompanie…
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…
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…
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…
Condensed matter realization of fermion quasiparticles in Minkowski space
Xiao Dong, QuanSheng Wu, Oleg V. Yazyev +4
"What is the difference between space and time?" is an ancient question that remains a matter of intense debate. In Newtonian mechanics time is absolute, while in Einstein's theory…
Two-dimensional boron on Pb (110) surface
Xin-Ling He, Xiao-Ji Weng, Yue Zhang +7
We simulate boron on Pb(110) surface by using ab initio evolutionary methodology. Interestingly, the two-dimensional (2D) Dirac Pmmn boron can be formed because of good lattice mat…
Novel magnesium borides and their superconductivity
M. M. Davari Esfahani, Q. Zhu, H. Dong +4
With the motivation of searching for new superconductors in the Mg-B system, we performed ab initio evolutionary searches for all the stable compounds in this binary system in the…
The Ideal Tensile Strength and Phonon Instability of Borophene
Haifeng Wang, Qingfang Li, Yan Gao +3
Very recently, two-dimensional(2D) boron sheets (borophene) with rectangular structure has been grown successfully on single crystal Ag(111) substrates.The fabricated boroprene is…
Superconductivity of novel tin hydrides (SnH) under pressure
M. Mahdi Davari Esfahani, Zhenhai Wang, Artem R. Oganov +5
With the motivation of discovering high-temperature superconductors, evolutionary algorithm is employed to search for all stable compounds in the Sn-H system. In addition to the tr…
Two-Dimensional Magnetic Boron
Xiang-Feng Zhou, Artem R. Oganov, Zhenhai Wang +3
We predict a two-dimensional (2D) antiferromagnetic (AFM) boron (designated as M-boron) by using ab initio evolutionary methodology. M-boron is entirely composed of B20 clusters in…
Prediction of Novel Stable 2D-Silicon with Fivefold Coordination
Zhenhai Wang, Mingwen Zhao, Xiang-Feng Zhou +6
Silicene, an analogue of graphene, was so far predicted to be the only two-dimensional silicon (2D-Si) with massless Dirac fermions. Here we predict a brand new 2D-Si Dirac semimet…
Nitrogen oxides under pressure stability, ionization, polymerization, and superconductivity
Dongxu Li, Artem R. Oganov, Xiao Dong +4
Nitrogen oxides are textbook class of molecular compounds, with extensive industrial applications. Nitrogen and oxygen are also among the most abundant elements in the universe. We…
Phagraphene: A Low-energy Graphene Allotrope composed of 5-6-7 Carbon Rings with Distorted Dirac Cones
Zhenhai Wang, Xiang-Feng Zhou, Xiaoming Zhang +4
Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene, standing for penta-hexa-hepta-graphene, because the structure is composed of 5-6-7…
Novel phase of beryllium fluoride at high pressure
Maksim S. Rakitin, Artem R. Oganov, Haiyang Niu +4
A previously unknown thermodynamically stable high-pressure phase of BeF has been predicted using the evolutionary algorithm USPEX. This phase occurs in the pressure range 18…
Electronegativity and chemical hardness of the elements under pressure
Xiao Dong, Artem R. Oganov, Haixu Cui +2
Abundant evidence has shown the emergence of exotic chemical phenomena under pressure, including the formation of unexpected compounds and strange crystal structures. In many cases…
Unexpected Reconstruction of the alpha-Boron (111) Surface
Xiang-Feng Zhou, Artem R. Oganov, Xi Shao +2
We report on a novel reconstruction of the alpha-boron (111) surface, discovered using an ab initio evolution structure search, and reveal that it has an unexpected neat structure…
Semimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions
Xiang-Feng Zhou, Xiao Dong, Artem R. Oganov +3
It has been widely accepted that planar boron structures, composed of triangular and hexagonal motifs are the most stable two dimensional (2D) phases and likely precursors for boro…