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Fragile magnetic ground state and metal-insulator transitions in CaCrO3: The first-principles calculations
Liu, H. M.1; Zhu, C.1; Ma, C. Y.1; Dong, S.2; Liu, J. -M.1,3
Corresponding AuthorLiu, J. -M.(liujm@nju.edu.cn)
2011-10-01
Source PublicationJOURNAL OF APPLIED PHYSICS
ISSN0021-8979
Volume110Issue:7Pages:6
AbstractSo far available experimental data on the magnetic ground state and transport behaviors of CaCrO3 are conflicting, suggesting that the electronic structure may be fragile against intrinsic or external perturbations. In this work we perform full-scale first principles calculations on the magnetic ground state and electronic structure of CaCrO3. It is revealed that the electronic structure and spin order are sensitive to the on-site Coulomb interaction and lattice distortion. The magnetic ground state is of the marginal stability, close to the boundary between various antiferromagnetically ordered phases. A crossing over the magnetic boundaries and associated metal-insulator transitions can be allowed by even weak lattice distortion (compressive strain) on the ab plane. The numerical results suggest that the on-site Coulomb interaction and lattice distortion represent two major ingredients of physics to determine the magnetic ground state, thus reasonably interpreting the scattered experimental data on the spin order and transport behaviors for CaCrO3. (C) 2011 American Institute of Physics. [doi:10.1063/1.3642987]
Funding OrganizationNatural Science Foundation of China ; National Key Projects for Basic Research of China ; Jiangsu Higher Education Institutions, China
DOI10.1063/1.3642987
Indexed BySCI
Language英语
Funding ProjectNatural Science Foundation of China[10874075] ; Natural Science Foundation of China[51031004] ; Natural Science Foundation of China[11074113] ; National Key Projects for Basic Research of China[2011CB922101] ; National Key Projects for Basic Research of China[2009CB623303] ; Jiangsu Higher Education Institutions, China
WOS Research AreaPhysics
WOS SubjectPhysics, Applied
WOS IDWOS:000295883000049
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/105832
Collection中国科学院金属研究所
Corresponding AuthorLiu, J. -M.
Affiliation1.Nanjing Univ, Solid State Microstruct Lab, Nanjing 210093, Peoples R China
2.Southeast Univ, Dept Phys, Nanjing 211189, Peoples R China
3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang, Peoples R China
Recommended Citation
GB/T 7714
Liu, H. M.,Zhu, C.,Ma, C. Y.,et al. Fragile magnetic ground state and metal-insulator transitions in CaCrO3: The first-principles calculations[J]. JOURNAL OF APPLIED PHYSICS,2011,110(7):6.
APA Liu, H. M.,Zhu, C.,Ma, C. Y.,Dong, S.,&Liu, J. -M..(2011).Fragile magnetic ground state and metal-insulator transitions in CaCrO3: The first-principles calculations.JOURNAL OF APPLIED PHYSICS,110(7),6.
MLA Liu, H. M.,et al."Fragile magnetic ground state and metal-insulator transitions in CaCrO3: The first-principles calculations".JOURNAL OF APPLIED PHYSICS 110.7(2011):6.
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