DICP OpenIR
Pressure dependence of exchange interactions in NiO
Zhang, Wei-Bing; Hu, Yu-Lin; Han, Ke-Li; Tang, Bi-Yu; Zhang WB; Zhang WB
Source PublicationPHYSICAL REVIEW B
2006-08-01
DOI10.1103/PhysRevB.74.054421
Volume74Issue:5Pages:054421-1-054421-5
Indexed BySCI
SubtypeArticle
Department11
Funding Project1101
Contribution Rank2;3
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectPhysics, Condensed Matter
WOS Research AreaPhysics
WOS KeywordAUGMENTED-WAVE METHOD ; MAGNETIC PROPERTIES ; LATTICE ; ENERGY ; SEMICONDUCTORS ; SUPEREXCHANGE ; INSULATORS ; SCATTERING ; OXIDE
AbstractWe investigate systematically the magnetic exchange interactions and related properties of NiO under high pressure based on first-principles calculations. Accurate magnetic exchange parameters are obtained using GGA+U. The pressure dependence of the superexchange constants are found to be in excellent agreement with experiment. Present results also give a theoretical evidence that the Bloch's law is valid under high pressure in the case of NiO. In addition, the Neel temperature and the rhombohedral distortion under high pressure are evaluated. These results are consistent with experiments and the related mechanisms are also discussed.
Language英语
URL查看原文
WOS IDWOS:000240238400064
Citation statistics
Cited Times:26[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/97277
Collection中国科学院大连化学物理研究所
Corresponding AuthorZhang WB; Zhang WB
Affiliation1.Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Computat Chem, Dalian 116023, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, State Lab Mol React Dynam, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Wei-Bing,Hu, Yu-Lin,Han, Ke-Li,et al. Pressure dependence of exchange interactions in NiO[J]. PHYSICAL REVIEW B,2006,74(5):054421-1-054421-5.
APA Zhang, Wei-Bing,Hu, Yu-Lin,Han, Ke-Li,Tang, Bi-Yu,Zhang WB,&Zhang WB.(2006).Pressure dependence of exchange interactions in NiO.PHYSICAL REVIEW B,74(5),054421-1-054421-5.
MLA Zhang, Wei-Bing,et al."Pressure dependence of exchange interactions in NiO".PHYSICAL REVIEW B 74.5(2006):054421-1-054421-5.
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