supported by the National Key R&D Program of China(Grant Nos.2022YFA1403800,2023YFA1406500,and 2022YFA1403103);the National Natural Science Foundation of China(Grant Nos.12274459,12174443,12074013,and 12404266);the Science Research Project of Hebei Education Department(Grant No.BJ2025060)。
We observed superconductivity in a cubic La_(3)Al single crystal that exhibits metallic behavior in the normal state without an observable structural transition and enters the superconducting state below T_(c)~6.32 K....
The long sought cubic gauche polymeric nitrogen(cg-N)consisting of N-N single bonds has been synthesized by one pot route using sodium azide as a precursor at ambient conditions.The recrystallization process was desig...
supported by the Fundamental Research Funds for the Central Universities(Grant No.010-63243095);the National Science Foundation of China(Grant Nos.92263101 and 12174200)。
In the quasi-free electron model,the Fermi surface spreads into a sphere in the Brillouin zone,i.e.,the Fermi sphere.The Fermi sphere exists widely in metal systems,no matter whether the crystal is in a body-center cu...
supported by the National Natural Science Foundation of China(Grant No.U2030114);CASHIPS Director's Fund(Grant No.YZJJ202207-CX)。
Cubic gauche polynitrogen(cg-N)is an attractive high-energy density material.However,high-pressure synthesized cg-N will decompose at low pressure and cannot exist under ambient conditions.Here,the stabilities of cg-N...
supported by the National Key R&D Program of China(Grant No.2022YFA1403000);the National Natural Science Foundation of China(Grant Nos.U2032126,11874058);the Pioneer Hundred Talents Program of the Chinese Academy of Sciences;the Zhejiang Provincial Natural Science Foundation(Grant No.LXR22E020001);the Beijing National Laboratory for Condensed Matter Physics;the Ningbo Natural Science Foundation(Grant No.2022J292);the Ningbo Science and Technology Bureau(Grant No.2022Z086)。
With the recent report of near ambient superconductivity at room temperature in the N-doped lutetium hydride(Lu-H-N)system,the understanding of cubic Lu-H compounds has attracted worldwide attention.Generally,compared...
Nearly a hundred years ago,the Nobel laureate Linus Pauling proposed based on the'ice rule'[1]and residual entropy theory that the structural entropy of ice is the same for common hexagonal ice(Ih)with tetrahedrally c...
support from China Postdoctoral Science Foundation(Grant No.2020M670841);support from the National Key Research and Development Program of China(Grant No.2017YFA0403704);supports from the National Natural Science Foundation of China(Grant Nos.12074141,42102030,and 11974129);support from Jilin Provincial Science and Technology Development Project(Grant Nos.20210402054GH and 20210509038RQ);support from the Program for Science and Technology of Education Department of Jilin Province(Grant No.JJKH20211036KJ);the Fundamental Research Funds for the Central Universities。
Strontium titanate(SrTiO_(3))is a typical perovskite-type ceramic oxide and studying its high-pressure phases are critical to understand the ferroelastic phase transition.SrTiO_(3)also can be used as an important anal...
supports from Shanghai International Cooperation Project(Grant No.20520760900);the Major Science and Technology Programs of Yunnan(Grant No.202002AB080001-1);supports from the Natural Science Foundation of Shanghai(Grant No.19ZR1421800);supports from the US National Science Foundation(Grant No.CBET-1510948);Part of the calculations was conducted at Stampede supercomputer resources at TACC made available by Extreme Science and Engineering Discovery Environment(XSEDE)through Allocation(Grant No.TG-DMR180114),which was supported by US National Science Foundation(Grant No.ACI-1548562)。
High-temperature phases of solids are often dynamically stable only.First-principles study of point defects in such solids at 0 K is prohibited by their static instability,which results in random structures of the def...
supported by the Guangdong Basic and Applied Basic Research Foundation(Grant No.2021A1515011784);the Key Program of the National Natural Science Foundation of China(Grant No.51732005);the Shenzhen Science and Technology Program(Grant No.KQTD20200820113047086);21C Innovation Laboratory,Contemporary Amperex Technology Ltd(Grant No.C-ND-21C LAB-210044-1.0);the Guangdong-Hong Kong-Macao Joint Laboratory for Neutron Scattering Science and Technology。
Anti-perovskite solid-state electrolyte Li_(2)OHCl usually exhibits orthorhombic phase and low ionic conductivity at room temperature.However,its ionic conductivity increases greatly when the temperature is up to 40℃...
Supported by the National Natural Science Foundation of China(Grant Nos.51861145315,51672171,12074241and 51911530124);the Department of Energy,Basic Energy Sciences(Award DE-SC0019114)for work at the University of Missouri;the Shanghai Municipal Science and Technology Commission Program(Grant No.19010500500);the China Scholarship Council(CSC);the Independent Research Project of State Key Laboratory of Advanced Special Steel and Shanghai Key Laboratory of Advanced Ferrometallurgy at Shanghai University;the State Key Laboratory of Solidification Processing in NWPU(Grant No.SKLSP201703)。
We report electronic and magnetic properties of full Heusler Pd_(2)TiIn based on first principles calculations.This compound has been variously characterized as magnetic or non-magnetic.We use first principles calcula...