Based on the 3D electron's radial wave function of Co 2+ free ion,a Nephelauxetic effect modifying factor to modify the radial wave function is introduced when Co 2+ cations are put into the crystal fie...Based on the 3D electron's radial wave function of Co 2+ free ion,a Nephelauxetic effect modifying factor to modify the radial wave function is introduced when Co 2+ cations are put into the crystal field of Zn 1-x Co x Se.With the modified wave functions,the optical transitions for Zn 1-x Co x Se crystals are calculated.Moreover,based on the first principle of physics,the influences of high pressure to the Nephelauxetic effect modifying factor is considered,and the high pressure blue shift for the Zn 1-x Co x Se crystal absorption spectra are calculated and a shift rate of d E /d p =0 45meV/GPa is obtained.展开更多
Under various uniaxial stresses,both strains with low symmetry and isotropic strains of crystals take place.The former fives the strain-induced low-symmetry crystal fields and accordingly splittings of levels;the latt...Under various uniaxial stresses,both strains with low symmetry and isotropic strains of crystals take place.The former fives the strain-induced low-symmetry crystal fields and accordingly splittings of levels;the latter gives the isotropic parts of strain-induced crystal fields and accordingly shifts of levels.By using the wavefunctions obtained from the diagonalization of the complete d^3 energy matrix in a regular octahedral field,the relevant matrix elements and accordingly strain-induced splittings and/or shifts of t2^32E and t2^34A2 for MgO:Cr^3+ have been calculated.Their physical origins have been thoroughly analyzed and revealed.It is the admixtures of basic wavefunctions resulted from the spinorbit interaction and/ork Coulomb interaction and/or Kramers degeneracy that make strain-induced splittings of levels nonzero.In contrast with this,strain-induced shifts come mainly from the zero-order approximate wavefunctions.It is found that there are nonvanishing matrix elements of operators T2ξ,T2η and T2ζ between wavefunctions with positive Ms and those with negative ms',which have important effects on strain-induced splittings of levels.The shifts of t2^32E under both hydrostatic pressure and uniaxial pressure have been uniformly calculated.The important results of Yc,Zc,Pc,Qc and <t2||C(A1)||t2> have been evaluated.展开更多
文摘Based on the 3D electron's radial wave function of Co 2+ free ion,a Nephelauxetic effect modifying factor to modify the radial wave function is introduced when Co 2+ cations are put into the crystal field of Zn 1-x Co x Se.With the modified wave functions,the optical transitions for Zn 1-x Co x Se crystals are calculated.Moreover,based on the first principle of physics,the influences of high pressure to the Nephelauxetic effect modifying factor is considered,and the high pressure blue shift for the Zn 1-x Co x Se crystal absorption spectra are calculated and a shift rate of d E /d p =0 45meV/GPa is obtained.
文摘Under various uniaxial stresses,both strains with low symmetry and isotropic strains of crystals take place.The former fives the strain-induced low-symmetry crystal fields and accordingly splittings of levels;the latter gives the isotropic parts of strain-induced crystal fields and accordingly shifts of levels.By using the wavefunctions obtained from the diagonalization of the complete d^3 energy matrix in a regular octahedral field,the relevant matrix elements and accordingly strain-induced splittings and/or shifts of t2^32E and t2^34A2 for MgO:Cr^3+ have been calculated.Their physical origins have been thoroughly analyzed and revealed.It is the admixtures of basic wavefunctions resulted from the spinorbit interaction and/ork Coulomb interaction and/or Kramers degeneracy that make strain-induced splittings of levels nonzero.In contrast with this,strain-induced shifts come mainly from the zero-order approximate wavefunctions.It is found that there are nonvanishing matrix elements of operators T2ξ,T2η and T2ζ between wavefunctions with positive Ms and those with negative ms',which have important effects on strain-induced splittings of levels.The shifts of t2^32E under both hydrostatic pressure and uniaxial pressure have been uniformly calculated.The important results of Yc,Zc,Pc,Qc and <t2||C(A1)||t2> have been evaluated.
