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good morning everyone | |
my topic today is second harmonic generation in noncentrosymmetric phosphates | |
second harmonic generation is the measurable property of nonlinear optical materials; | |
and noncentrosymmetric phosphates | |
is a good ultraviolet nonlinear optical material. | |
first i'll give you the backgroud of nonlinear optical materials: | |
nonlinear optical materials can converting the incident light into other frequency. | |
it is important in laser optical science and important military applications. | |
my presentation is seperated into the following part: | |
i'll give you the predicted conclusion and my research destination first. | |
and then the method and model i used to get my results | |
lastly, i'll show what i think is the weakness of my work and how i improve them. | |
The conclusion of my research is that four phosphates which are similar is structures have different SHG. | |
the beta phosphate tri lithum have very weak SHG while other three have measurable SHG. | |
I contribute the SHG of beta Vanadium tri-lithum and phosphate Csumsium lithum mostly to reduced charge-transfer energy, | |
and contribute the SHG of phosphate boron to enhanced orbital hybridization. | |
To get the the conclusion i need to seperating the contribution into charge-transfer energy and the | |
orbital hybridizaion. | |
And finding that berry connection and curvature interpretation of SHG is suitable for this distination. | |
The model i use is the simple two-band model, | |
starting from the hamitonian the general two-band form. | |
we can write the berry connections as following. | |
where the alphe and beta can be writing as equation of d | |
for the specific point group, take mm2 of livo4 and li3po4 as example we read | |
d1 equals sum of ... | |
and d3 is the band gap | |
and orbital hybridization strength is .. | |
and charge-transfer energt is d3 | |
as for the transverse SHG effect chi 2 along i direction. we can write it from dipole band model as ... | |
and under the near fermi energy approximation and long wavelength approximation. we rewrite is | |
as following. | |
it is clearly with tx ty tz equals t , and it indicates that lower the charge transfer energy or enhance the | |
orbital hybridization can enhance SHG | |
The first principle method is used to verify the model and used to show the conclusion. | |
... | |
... | |
there still some weakness i can improved in my research . | |
... ... ... | |
reshow the conclusion part |
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