Journal
PHYSICAL REVIEW B
Volume 87, Issue 7, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.87.075127
Keywords
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Funding
- State Key Program for Basic Researches of China [2009CB929501]
- National Science Foundation of China [61271078, 51002075, 51102133, 51225201]
- Priority Academic Program Development of Jiangsu Higher Education Institutions
- Fundamental Research Funds for the Central Universities
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The magnetic properties and the origins of ferroelectric polarization in recently discovered multiferroics material CaMn7O12 have been investigated on the basis of model analysis and first-principles calculations. We find the noncollinear-type exchange-striction mechanism and the p-d hybridization with spin-orbit coupling coexist in the origins of polarization. The induced giant ferroelectricity can be mainly attributed to the former, related to two kinds of charge-order chains combined with the same spiral spin chirality as Mn ions. Our results confirm that the polarization induced by the two mechanisms follows the S-i . S-j and S-i x S-j laws, respectively. DOI: 10.1103/PhysRevB.87.075127
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