| Budget Amount *help |
¥5,330,000 (Direct Cost: ¥4,100,000、Indirect Cost: ¥1,230,000)
Fiscal Year 2013: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2012: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2011: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
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| Outline of Final Research Achievements |
To have a thorough understanding on the formation mechanism of disordered fcc-NdOx phase formed at the interface of Nd/Nd-Fe-B, and its relation to the surface coercivity, ground state analysis for whole oxygen concentration in Nd-O has been performed by combing the LSDA+U and the Cluster Expansion Method (CEM). Systematic calculations revealed that a sequent fcc-based structures formed by introducing oxygen vacancies into NdO is stable in almost all 0-50% oxygen concentration range, whereas in a series hcp-based structures developed from hp5-Nd2O3 no stable structure is observed, which coincides with the experiments very well. Large scale interface calculations show that the NdOx-fcc/Nd-dhcp is more stable, further explained the relation between the phase stability and coercivity. The stability and binding properties of the Cu-doped Cu-fcc-NdOx structures which was reported to be favorite for increasing coercivity are investigated.
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