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Title: Single-Domain Ferromagnet of Noncentrosymmetric Uniaxial Magnetic Ions and Magnetoelectric Interaction

Journal Article · · Angewandte Chemie (International Edition)
 [1];  [2]; ORCiD logo [3]
  1. Kyung Hee Univ., Seoul (Korea). Dept. of Chemistry and Research Inst. for Basic Sciences
  2. North Carolina State Univ., Raleigh, NC (United States). Dept. of Chemistry
  3. North Carolina State Univ., Raleigh, NC (United States). Dept. of Chemistry; Chinese Academy of Sciences (CAS), Fuzhou (China). Fujian Inst. of Research on the Structure of Matter (FJIRSM), State Key Lab. of Structural Chemistry, Group SDeng
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Abstract The feasibility of a single‐domain ferromagnet based on uniaxial magnetic ions was examined. For a noncentrosymmetric uniaxial magnetic ion of magnetic moment μ at a site of local electric dipole moment p , it is unknown to date whether μ prefers to be parallel or antiparallel to μ . The nature of this magnetoelectric interaction was probed in terms of analogical reasoning based on the Rashba effect and density functional theory (DFT) calculations. We show that μ and p prefer an antiparallel arrangement, predict that Fe‐doped CaZnOS is a single‐domain ferromagnet like a bar magnet, and find the probable cause for the ferromagnetism and weak magnetization hysteresis in Fe‐doped hexagonal ZnO and ZnS at very low dopant concentrations.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
AC02-05CH11231; Contract No. DE-AC02-05CH11231
OSTI ID:
1543470
Alternate ID(s):
OSTI ID: 1400475
Journal Information:
Angewandte Chemie (International Edition), Vol. 56, Issue 34; ISSN 1433-7851
Publisher:
WileyCopyright Statement
Country of Publication:
United States
Language:
English

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Figures / Tables (8)

Figure 1(p. 2)figure Figure 1
Figure 2(p. 3)figure Figure 2
Figure 3(p. 3)figure Figure 3
Figure 1(p. 8)figure Figure 1
Figure 2(p. 8)figure Figure 2
Table S1(p. 9)table Table S1
Table S2(p. 10)table Table S2
Table S3(p. 11)table Table S3

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
chemistry
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spin-orbit coupling
uniaxial magnetic ion