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481.
M. Babamoradi M. Heidari Saani A. Ranjbar M. A. Vesaghi Y. Kawazoe 《The European Physical Journal B - Condensed Matter and Complex Systems》2011,84(1):1-9
Using a generalized Hubbard Hamiltonian, many-electron wavefunctions of negatively
charged (NV−) and neutral nitrogen-vacancy (NV0) centers in diamond
were calculated. We report the effect of symmetric relaxation of surrounding atoms on the
spin density, calculated from the many electron wavefunctions in the ground and excited
states. We evaluated the error, that, arises in estimation of spin density when lattice
relaxation effect is neglected in Electron Paramagnetic Resonance experiment and showed
that the ground state spin density distribution is accessible in outward relaxations. The
computed oscillator strengths give a higher efficiency for the 1.945 eV photoluminescence
(PL) line of NV− with respect to 2.156 eV PL line of NV0 which
agrees well with experiment. This result is explained based on the largest the ground
state spin among available values for the NV− with respect to NV0.
The transition probability between degenerate ground and excited states slightly depends
on the S
z
value. Finally, we report on the
electronic configurations which contribute to the ground and excited states and discuss
the population variation of electronic configurations with relaxation. 相似文献
482.
Liping Yao Zhong Zeng Yi Zhang Zhouhua Qiu Hiroshi Mizuseki Yoshiyuki Kawazoe 《Crystal Research and Technology》2012,47(8):816-823
Under a rotating magnetic filed (RMF), the instability of thermocapillary flow and its evolution with increasing Marangoni number (Ma) for semiconductor melt (Pr = 0.01) in a floating liquid bridge model (As = 1) are investigated numerically. Under 5 mT RMF, the thermocapillary flow is steady and axisymmetric with Ma < Mac, and the critical Marangoni number Mac for convection instability is 29.5, which is obtained by the direct numerical simulation. When the Ma is a little bit beyond the Mac, the thermocapillary flow loses stability to become a three‐dimensional rotating oscillatory convection, and a periodic oscillation is confirmed by the fast Fourier transform analysis, the oscillatory main frequency decays with increasing Ma. Under 1 mT–6 mT RMF, the Mac increases roughly with the magnetic strength except the Mac at 4 mT, where the corresponding change of flow mode after the instability is observed. The oscillatory convection occurs with a smaller Ma in the RMF than that without magnetic field. In addition, no instability toward a three‐dimensional steady convection, which is the state of thermocapillary flow without magnetic field after the first instability, is observed under the RMF. 相似文献
483.