Final Examination of

Firest Principles Calculation of Semiconductor and Optoelectronic Materials : Applications

 

Capture 5 critical figures for each answered question, the lasti mage should show the conclusive fincal result of the question. No-limit of text used to describe your answer. After finishing the answer, save and convert to produce a pdf file.

Name your single pdf file as :[Applications_Final]_[Your-Name]_[Student-ID].pdf

E-mail your pdf file as an attached file with same name of the that pdf file (without extension name PDF) to mhl_castep@163.com, titled CC (Carbon Copy) the same mail to you official e-mail address to keep the time-stamp and as an evidence of submission of your exam papers.

(30 points per question)

1. Find surface states  of Be(0001)

2. Estimate the workfunction of W(111) surface

3. Build hetrojunction model of Si on Ge matching using (110) surface. (no need do calculation)

4. Use VCA method to create a CuNi alloy with 50%-50% concentration, show that the magnetic moment of this alloy is zero.