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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Dear Vipul,<br>
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This is an old problem in semiconductor physics. In summary you need 2 set of calculations. One for a surface (interface) and another one for bulk.
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Key papers to review are:<br>
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<a href="http://journals.aps.org/prb/abstract/10.1103/PhysRevB.35.8154" target="_blank">http://journals.aps.org/prb/abstract/10.1103/PhysRevB.35.8154</a><br>
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<a href="http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.61.734" target="_blank">http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.61.734</a><br>
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There are many modern examples as well. In my opinion absolute alignment to vacuum is more difficult than aliment of material 1 to material 2.
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Best Regards,<br>
Mostafa<br>
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