136 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Dalian University of TechnologyCN31 papers
- HUN-REN Wigner Research Centre for PhysicsHU8 papers
- Institute for Solid State Physics and OpticsHU8 papers
- KTH Royal Institute of TechnologySE6 papers
- Ruhr University BochumDE6 papers
- Uppsala UniversitySE6 papers
- Chinese Academy of SciencesCN4 papers
- Inner Mongolia UniversityCN3 papers
- Institute of High Energy PhysicsCN3 papers
- Institute of PhysicsPL3 papers
- Beihang UniversityCN2 papers
- Beijing Computational Science Research CenterCN2 papers
14 papers · 1 filter
Tetragonal Mexican-Hat Dispersion and Switchable Half-Metal State with Multiple Anisotropic Weyl Fermions in Penta-Graphene
Ningning Jia, Yongting Shi, Zhiheng Lv +5
In past decades, the ever-expanding library of 2D carbon allotropes has yielded a broad range of exotic properties for the future carbon-based electronics. However, the known allot…
Kondo holes in the 2D itinerant Ising ferromagnet Fe3GeTe2
Mengting Zhao, Binbin Chen, Yilian Xi +10
Heavy fermion (HF) states emerge in correlated quantum materials due to the interplay between localized magnetic moments and itinerant electrons, but rarely appear in 3d-electron s…
Insight into the interface between FeO(001) surface and water overlayers through multiscale molecular dynamics simulations
Hongsheng Liu, Enrico Bianchetti, Paulo Siani +1
In this work we investigate the FeO(001) surface/water interface by combining several theoretical approaches, ranging from a hybrid functional method (HSE06) to density-fun…
Experimental Realization of Two-Dimensional Buckled Lieb lattice
Haifeng Feng, Chen Liu, Si Zhou +9
Two-dimensional (2D) materials with a Lieb lattice can host exotic electronic band structures. Such a system does not exist in nature, and it is also difficult to obtain in the lab…
Spin-charge conversion in NiMnSb Heusler alloy films
Zhenchao Wen, Zhiyong Qiu, Sebastian Tolle +7
Half-metallic Heusler alloys are attracting considerable attention because of their unique half-metallic band structures which exhibit high spin polarization and yield huge magneto…
All-Silicon Topological Semimetals with Closed Nodal Line
Zhifeng Liu, Hongli Xin, Li Fu +5
Owing to the natural compatibility with current semiconductor industry, silicon allotropes with diverse structural and electronic properties provide promising platforms for the nex…
N-doped graphitic carbon materials hybridized with transition metals (compounds) for hydrogen evolution reaction: Understanding the synergistic effect from atomistic level
Wei Pei, Si Zhou, Yizhen Bai +1
The hybrid nanostructures of nitrogen doped carbon materials and nonprecious transition metals are among the most promising electrocatalysts to replace noble metal catalysts for re…
Monolayer group-III monochalcogenides by oxygen functionalization: a promising class of two-dimensional topological insulators
Si Zhou, Cheng-Cheng Liu, Jijun Zhao +1
Monolayer group-III monochalcogenides (MX, M = Ga, In; X = S, Se, Te), an emerging category of two-dimensional (2D) semiconductors, hold great promise for electronics, optoelectron…
Spin colossal magnetoresistance in an antiferromagnetic insulator
Zhiyong Qiu, Dazhi Hou, Joseph Barker +3
Colossal magnetoresistance (CMR) refers to a large change in electrical conductivity induced by a magnetic field in the vicinity of a metal-insulator transition and has inspired ex…
Understanding the mechanical properties of reduced activation steels
Xiaojie Li, Xiaoqing Li, Stephan Schönecker +3
Reduced activation ferritic/martensitic (RAFM) steels are structural materials with potential application in Generation-IV fission and fusion reactors. We use density-functional th…
A new 2D monolayer BiXene, M2C (M=Mo, Tc, Os)
Weiwei Sun, Yunguo Li, Baotian Wang +5
Note this is a rather coarse version of our manuscript since uploading tex files are necessary (we are not willing to upload all tex files). The existence of BiXenes, a new family…
Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches
Ruihuan Li, Song Lu, Dongyoo Kim +4
The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE…
Tensile strain-induced softening of iron at high temperature
Xiaoqing Li, Stephan Schönecker, Eszter Simon +6
In weakly ferromagnetic materials, already small changes in the atomic configuration triggered by temperature or chemistry can alter the magnetic interactions responsible for the n…
Alloying effect on the ideal tensile strength of ferromagnetic and paramagnetic bcc iron
Xiaoqing Li, Stephan Schönecker, Jijun Zhao +2
Using \emph{ab initio} alloy theory formulated within the exact muffin-tin orbitals theory in combination with the coherent potential approximation, we investigate the ideal tensil…