<div dir="ltr">Dear users,<div>I am calculation metal (Au) - ZnO work-function. Au(111) is over the ZnO(0001) surface. Since ZnO (0001) surface is polar, so i applied dipole correction.</div><div>I am using 6Layers of Au and 8 double layer of ZnO. So is the workfunction is just the difference between fermi energy Ef and the constant potential in vacuum. Which i got after running pp.x and then average.x Or something else.</div><div><br></div><div>I am asking this because when after removing two oxygen's from ZnO's 3rd and 5th layer, there is no change in the workfunction. But I am expecting a change due to excess electrons of ZnO.<br clear="all"><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr"><div>Dr. Bipul Rakshit<br>Research Associate,<br>Institute of Physics (IOP),<br>Bhubaneswar- <span>751 005</span></div><div>Orissa <br></div><div>India</div></div></div>
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