Dear sir, You cannot compare Fermi energy if you do not align the vacuum level of systems. Professor Baroni et al., if I remember correctly, have shown this in one of his works.
In terms of energy formation, this paper below (and citing references) might help you: (Sorry, I am sending this email through my phone, couldn't change big size fonts) Also, other works of the professor Lucy Vitoria C. Assali discuss with very good details the energy formation of materials. Best regards, Filipe Intrinsic uncertainty on *ab initio* phase diagram and compound formation energy calculations: BCC Mo–Fe as a test case http://onlinelibrary.wiley.com/doi/10.1002/pssb.201248386/abstract On Thursday, November 6, 2014, mohaddeseh abbasnejad <m.abbasne...@gmail.com> wrote: > > Dear experts, > > In my calculations, I have studied four different configurations of > system. Based on the calculated energy, the stable configuration (lowest > value of energy) has larger Fermi energy and the highest value of energy > (less stable one) is related to the lowest Fermi energy. However, I have > read that increasing the Fermi energy in the system is expected to decrease > the stability. I was wondering if you would help me on which parameter > should be considered to determine the stability. > Thanks in advance. > > Regards, > M.Abbasnejad > -- > --------------------------------------------------------- > > Mohaddeseh Abbasnejad, > Room No. 323, Department of Physics, > University of Tehran, North Karegar Ave., > Tehran, P.O. Box: 14395-547- IRAN > Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781 > Cellphone: +98 917 731 7514 > E-Mail: m.abbasne...@gmail.com > <javascript:_e(%7B%7D,'cvml','m.abbasne...@gmail.com');> > Website: http://physics.ut.ac.ir > > --------------------------------------------------------- > -- _________________________________________ Filipe Camargo Dalmatti Alves Lima PhD Student University of São Paulo, Physics Institute, Materials Physics Department, Nanomol Group, Brazil. Phones: (11) 3091-6881 (USP) (11) 97408-2755 (Vivo)
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