Eu^(2+)掺杂硼酸盐系列发光晶体化学键参数的计算

Calculation of chemical bond parameters in Eu^(2+) doped solid state borates

利用复杂晶体化学键理论对Eu2 +掺杂的硼酸盐晶体Ba2 LiB5 O10 ,Ba2 MgB2 O6 ,Ba2 Be2 B2 O6 ,BaLiBO3,SrB4 O7和SrAl2 B2 O7的化学键参数进行了理论计算 .结果表明 ,在不同的晶体中掺杂离子与配位原子间形成的共价键的键性是不同的 ,这种差异的产生是由于成键原子的性质、配位数以及键长的不同而造成的 .

Chemical bond parameters in Eu 2+ doped solid states borates were calculated by using complex chemical bond theory,The covalency of the bond between dopant ion and coordinate anions,indicated in the conclusion,are different from each other in different host lattices.The difference is caused by the difference of coordination numbers and bond-lengthes.