学术成果、科研项目:
1.缺陷对钛酸铜钙介电性能影响的微观机制研究,湖北省科技厅自然科学基金,主持。 2.类钙钛矿结构钛酸铜钙中缺陷态性质的理论研究,国家自然科学基金理论物理专项,主持。
3. Haibo Xiao, Shiheng Liang, Lingfang Xu, Ruilong Wang* , Changping Yang, 2D high temperature ferromagnetic Co2Ti2Sn2 monolayer with tunable magnetic anisotropy and superior mechanical flexibility: A first-principles and Monte Carlo study, Physica E: Low-dimensional Systems and Nanostructures 135 (2022) 114939. 4. Cai, HD, Xia, C,Wang, XY, Dong, WJ, Xiao, HB*, Zheng, D, Wang, H*, Wang, BY*,Diverse Functions of Oxygen Vacancies for Oxygen Ion Conduction,ACS APPLIED ENERGY MATERIALS,(2022) Volume5,Issue9,Page11122-11132. 5. Naveed Mushtaq, Yuzheng Lu , Chen Xia, Wenjing Dong, Baoyuan Wang, Xunying Wang, M.A.K. Yousaf Shah, Sajid Rauf, Nie Jingjing, Enyi Hu, Haibo Xiao∗, Rizwan Raza, Jung-Sik Kim perovskite oxide for enhanced oxygen reduction catalytic performance, Journal of Catalysis 395 (2021) 168–177. 6. Xiaonan Wang, Haibo Xiao∗, Ruilong Wang, Shiheng Liang, Changping Yang,Effect of S vacancy or non-metallic atom (C, N and F) doping on the adsorption behaviors of molecules (H2S, BF4) on monolayer MoS2,Physica E 124 (2020) 114292. 7. Haibo Xiao∗Xiaonan Wang, Ruilong Wang, Lingfang Xu, Shiheng Liang and Changping Yang*, Intrinsic magnetism and biaxial strain tuning in two-dimensional metal halides V3X8 (X = F, Cl, Br, I)from first principles and Monte Carlo simulation, Phys. Chem. Chem. Phys.,2019, 21, 11731. 8. Xiao, Haibo; Wang, Ruilong; Xu, Linfang; Yang, Fujun; Yang, Changping,Pressure effect of magnetic and electronic properties of Mn2PtGa Heusler alloy,PHYSICS LETTERS A,JAN 30,2018,382(4)224-230,10.1016/j.physleta.2017.11.019 9. Xiao, HB; Xu, LF; Wang, RL; Yang, CP, Interstitial copper defect induced reconstruction of a new "CuO4" quadrilateral in CaCu3Ti4O12: A first-principles study,PHYSICA B-CONDENSED MATTER,2017,520,123-127,10.1016/j.physb.2017.06.033. 10. Xiao, HB; Yang, CP; Wang, RL; Xu, LF; Liu, GZ; First-principles study of martensitic transformation and magnetic properties of carbon doped Ni-Mn-Sn Heusler alloys,PHYSICS LETTERS A, 2016,380(41),3414-3420, 10.1016/j.physleta.2016.08.008. 11. Xiao, HB; Yang, CP; Wang, RL; Marchenkov, VV; Barner, K, Effect of alloying element Al substitution on Ni-Mn-Sn shape memory alloy by first-principle calculations, JOURNAL OF APPLIED PHYSICS, 2012,112(12)123723 10.1063/1.4772618. 12. Xiao, HB,Yang, CP,Huang, C,Xu, LF,Shi, DW, Influence of oxygen vacancy on the electronic structure of CaCu3Ti4O12 and its deep-level vacancy trap states by first-principle calculation, JOURNAL OF APPLIED PHYSICS, 2012,111(6)063713,10.1063/1.3697899. 13. Xiao, HB; Yang, CP; Wang, RL; Marchenkov, VV; Luo, X, Martensitic transformation and phase stability of In-doped Ni-Mn-Sn shape memory alloys from first-principles calculations, JOURNAL OF APPLIED PHYSICS, 2014,115(20)203703, 10.1063/1.4878455. 14. Wang, RL; Mao, YW; Zhang, CC; Xiao, HB; Xu, LF; Xia, ZC; Yang, CP,Structure and magnetic properties in mixed valent LaCr0.7Cu0.3O3 ceramics,CERAMICS INTERNATIONAL,JAN,2018,44(1)339-342,10.1016/j.ceramint.2017.09.178 15.Zhang, CC; Mao, YW; Wang, RL; Xiao, HB; Xu, LF; Xia, ZC; Yang, CP,Sign reversal of spontaneous exchange bias in Mn0.7Fe0.3NiGe alloy,JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,DEC 15,2017,444,12-15,10.1016/j.jmmm.2017.07.093.
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