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×î½üͶһƪ¸å×Ó£¬Éó¸åÈËÎÊ£º - the same table reports the Fermi level in different systems. Did the author align the energy levels of different systems following some recipe? Just for the above mentioned zero energy arbitrariness, using the "as is" Fermi level, can result in completely wrong conclusions. ±íÈçÏ£º Entry Ef (eV) Fermi (eV) 1 -1.0 12.3 2 8.3 9.8 3 5.0 9.5 4 9.1 9.6 5 5.7 11.0 ÎÒµÄÇé¿öÈçÏ£º ÎÒµÄÊý¾ÝÍêÈ«ÊÇÓÉPWSCF code¼ÆËãµÃµ½µÄ£¬²¢Ã»ÓÐ×öÈκδ¦Àí£¨alignment procedure£©,ÊDz»ÊDZíʾÕâÑùµÄÊý¾Ý²»¾ßÓпɱÈÐÔ£¬ÒòΪËüÃǵÄÁãµãÊDz»Ò»Öµģ¿ ÄÇôÎÒÔõôµ÷ÕûÈÃËûÃǵÄÁãµãÒ»ÖÂÄØ£¿£¿£¿ [ Last edited by xiaohunhun on 2010-4-16 at 20:24 ] |
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