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This work was supported by the National Natural Science Foundation of China(Grant Nos.11704291 and 12174296);the Hubei Province Key Laboratory of Systems Science in Metallurgical Process of Wuhan University of Science and Technology(Grant Nos.Y202101 and Y202208);the Scientific research project of Education Department of Hubei Province(Grant No.2022024);the Postgraduate Scientific Research Innovation Project of Hunan Province(Grant No.QL20230006);the High-Performance Computing Center of Wuhan University of Science and Technology.S.C.Z.also acknowledges the support from China Scholarship Council.
Currently,magnetic storage devices are encountering the problem of achieving lightweight and high integration in mobile computing devices during the information age.As a result,there is a growing urgency for twodimens...
the National Natural Science Foundation of China(51303083);the National Natural Science Foundation of China for Excellent Young Scholars(51922050);the Natural Science Foundation of Jiangsu Province(BK20191293);the Fundamental Research Funds for the Central Universities(30920021123)。
Photothermal catalytic CO_(2) conversion provides an effective solution targeting carbon neutrality by synergistic utilization of photon and heat.However,the C-C coupling initiated by photothermal catalysis is still a...
Two-dimensional(2D) CrI_(3) is a ferromagnetic semiconductor with potential for applications in spintronics. However,its low Curie temperature(T_(c)) hinders realistic applications of CrI3. Based on first-principles c...
the National Natural Science Foundation of China(Grant Nos.12004137,62071200,and 12104236);Shandong Provincial Natural Science Foundation of China(Grant Nos.ZR2020QA052,ZR2020ZD28,ZR2021MA040,and ZR2021MA060).
Searching for one-dimensional(1D)nanostructure with ferromagnetic(FM)half-metallicity is of significance for the development of miniature spintronic devices.Here,based on the first-principles calculations,we propose t...
Key Scientific Research Projects of Colleges and Universities in Henan Province,China(Grant No.21A140022)。
Exploring the half-metallic nanostructures with large band gap and high carrier mobility is a crucial solution for developing high-performance spintronic devices.The electric and magnetic properties of monolayer zigza...
supported by the Taishan Scholar Program of Shandong Province(No.ts20190939);National Natural Science Foundation of China(Grant No.62071200,12004137,11804116,52173283);the Natural Science Foundation of Shandong Province(Grant No.ZR2018MA035,ZR2020QA052,ZR2019MA041);Independent Cultivation Program of Innovat ion Team of Jinan City(Grant No.2021GXRC043)。
A two-dimensional(2D) high-temperature ferromagnetic half-metal whose magnetic and electronic properties can be flexibly tuned is required for the application of new spintronics devices. In this paper, we predict a st...
This work was supported by the National Natural Science Foundation of China(Nos.11904312 and 11904313),the Project of Hebei Educational Department,China(Nos.ZD2018015 and QN2018012),the Natural Science Foundation of Hebei Province of China(No.A2020203027),the Doctor Foundation Project of Yanshan University(No.BL19008),and the Scientific Research Foundation of the Higher Education of Hebei Province,China(No.BJ2020015).The numerical calculations in this paper have been done on the supercomputing system in the High Performance Computing Center of Yanshan University.
In this paper,we systematically investigated the structural and magnetic properties of CrTe by combining particle swarm optimization algorithm and first-principles calculations.By considering the electronic correlatio...
the National Natural Science Foundation of China(Grant Nos.11674136 and 11564022);Yunnan Province for Recruiting High-Caliber Technological Talents,China(Grant No.1097816002);Reserve Talents for Yunnan Young and Middle-aged Academic and Technical Leaders,China(Grant No.2017HB010);the Academic Qinglan Project of KUST(Grant No.1407840010);the Analysis and Testing Fund of KUST(Grant No.2017M20162230010);the High-level Talents of KUST(Grant No.1411909425)。
The fascinating Dirac cone in honeycomb graphene,which underlies many unique electronic properties,has inspired the vast endeavors on pursuing new two-dimensional(2D)Dirac materials.Based on the density functional the...
The electronic and magnetic properties of strontium hexa-ferrite(SrFe12O19)are studied in pure state(SrFe12O19)and with dopant in the positions 2 and 3 of Fe atoms(SrGdFe11O19-I and SrGdFe11O19-Ⅱ,respectively)by util...
The electronic and optical characteristics of the Sc2 CoSi Heusler with L21 structure and also the surface effect on electronic and optical properties, and the ?lms thermodynamic stability of the [001] direction in fo...