Study on First-Principles of Nano-Materials Named Manganese Oxide
The physical properties of nano-Mn3O4 is Characterize by theory base clusters of Physical Chemistry, Including the lattice structure, catalytic properties, the phenomenon of giant magnetic and giant magnetoresistance, N dimensional wave function is approximation to be expressed as variational parameters of nonlinear multivariate function by Density Functional Theory, Extreme functional is obtained by Wavelet analysis ,And analyzed the data characteristics on relationship between Particle size, concentration, temperature, magnetic field strength of a4 , a5 and time, Compared with bulk materials, nano materials, bond angles, bond length parameters, Resolved electron spin states and relativistic effects of the problem, Correction of the uneven distribution of electron density because the error caused.
G. L. Lu et al., "Study on First-Principles of Nano-Materials Named Manganese Oxide", Applied Mechanics and Materials, Vols. 110-116, pp. 1886-1891, 2012