Supported by the National Key R&D Program of China(Grant No.2018YFE0202600);the Beijing Natural Science Foundation(Grant No.Z200005);the National Natural Science Foundation of China(Grant Nos.11822412 and 11774423);the Fundamental Research Funds for the Central Universities and Research Funds of Renmin University of China(RUC)(Grant Nos.19XNLG17 and20XNH062);the Outstanding Innovative Talents Cultivation Funded Programs 2020 of Renmin Univertity of China;the Beijing National Laboratory for Condensed Matter Physics;Collaborative Research Project of Laboratory for Materials and Structures,Institute of Innovative Research,Tokyo Institute of Technology。
We report two new members of V-based kagome metals CSV_(6)Sb_(6)and CsV_(8)Sb_(12).The most striking structural feature of CSV_(6)Sb_(6)is the V kagome bilayers.For CsV_(8)Sb_(12),there is an intergrowth of two-dimens...
We present embedded atom method-based geometry optimization calculations for Fe, Cr, Mo, Nb, Ta, V and W body-centered cubic metals with Finnis–Sinclair potentials. After the optimization, we determine their typical ...
Supported by the National Basic Research Program of China under Grant Nos 2009CB929101 and 2012CB921304.
The total reciprocal space magnetic flux threading through a closed Fermi surface is a topological invariant for a three-dimensional metal.For a Weyl metal,the invariant is nonzero for each of its Fermi surfaces.We sh...
Supported by the National Natural Science Foundation of China under Grant No 10875177.
It has been claimed that the half-life of radioactive nuclides embedded in metals may be significantly affected by the screening of quasi-free electrons provided by the metals,especially at the cryogenic temperature.W...
by Scientific Research Fund of Nanjing University of Information Science and Technology(No S8108197001);the Natural Science Foundation of Jiangsu Provincial Universities(No 10KJB180004).
Based on the main physical processes,we deduce the relationships among the incident energy Wp0 of the primary electron,the number of released secondary electrons(i.e.δ_(PEθ))per primary electron entering the metal a...
The computations of the phonon dispersion curves (PDC) of four equiatomic Li-based binary alloys, namely Li0.5Na0.5, Li0.5K0.5, Li0.5Rb0.5 and Li0.5Cs0.5, to second order in the local model potential is discussed in...
The interaction between small vacancy clusters and twin boundaries in copper is studied by using many-body potential developed by Ackland et aL for fcc metals. The interaction energies of single-, di- and tri-vacancy ...
Supported by the Natural Science Foundation of China under Grant Nos 10575012 and 10435020, the Science Foundation of Beijing, and the Science Foundation of the Ministry of Education of China.
Heat capacities of small aluminium clusters A111-20 are investigated using MD simulation with empirical many- body Gupta potential. The heat capacities of some clusters A111, A112, A113 and A119 show well-defined peak...
Supported by the National Natural Science Foundation of China under Grant Nos 10674042 and 60476047, the Natural Science Foundation of Henan Province under Grant No 0611053800, and the Henan Innovation Project for University Prominent Research Talents (HAIPURT: No.2007KYCX004).
The electronic properties of one monolayer of Au atoms on polar ZnO surfaces are examined by first-principles slab calculations. It is found that an Au ad-layer on top of the surface is energetically more favourable t...
Supported by the National Natural Science Foundation of China under Grant No 10472048, and the Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, CAEP, under Grant No 9140C6702020603.
It is necessary to study the validation of strength models under planar shock loading in view of the fact that strength models for metals obtained at moderate strain rates are often used in the numerical simulations o...