²é¿´: 624  |  »Ø¸´: 3
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

excellencer

ľ³æ (ÖøÃûдÊÖ)


[½»Á÷] ÇëÎÊÔÚÓÃcastep½øÐÐﯵļ¸ºÎÓÅ»¯Ê±ÐèÒª¿¼ÂÇspin polarizedÂð£¿

ÇëÎÊÔÚÓÃcastep½øÐÐﯵļ¸ºÎÓÅ»¯ÐèÒª¿¼ÂÇspin polarizedÂð£¿Èç¹ûÐèÒªµÄ»°£¬initial spinÐèÒªÉèÖÃΪ¶àÉÙÄØ£¿Ó볬¾§°ûÖÐZrÔ­×Ó¸öÊýÒ²ÓйØÏµÂ𣿠ﯵÄÍâ²ãµç×ÓÅŲ¼Îª4d2 5s2£¬ÏÔʾ˳´ÅÐÔ£¬´ó²¿·ÖÎÄÏ×ÀïûÓÐÌá¼°£¬Ö»ÓÐһƪÃ÷È·Ìáµ½All calculations were spin polarised and no symmetry operations were enforced.¡¾P.A. Burr et al. / Corrosion Science 69 (2013) 1¨C4¡¿.
Áí£¬Èç¹ûÌí¼ÓÌæ´úλµÄÔÓÖÊÔ­×ӵϰ£¬ÔÓÖÊÔ­×ÓÐèÒª·ÅÔÚ¾«È·µÄÌæ´úλÉÏÂ𣬻¹ÊǸ½½ü¶¼¿ÉÒÔ£¿
»¶Ó­´ó¼Ò½»Á÷Ö¸µ¼£¬·Ç³£¸Ðл£¡

http://muchong.com/bbs/viewthread.php?tid=6060070

[ Last edited by excellencer on 2013-6-30 at 14:18 ]
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

ÔÓÆßÔÓ°Ë

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

excellencer

ľ³æ (ÖøÃûдÊÖ)


Çó½»Á÷Ö¸µ¼°¡£¬Â¥ÉÏÕâÖÖ¹àË®ÐÐΪ²»¹ÄÀøÅ¶~
3Â¥2013-07-01 23:54:59
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 4 ¸ö»Ø´ð

infrared123

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
All calculations were spin polarised and no symmetry operations were enforced.¡¾P.A. Burr et al. / Corrosion Science 69 (2013) 1¨C4¡¿.
2Â¥2013-06-30 19:13:36
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085602 289·ÖÇóµ÷¼Á +7 WWWÎ÷Î÷¸¥Ë¹ 2026-03-24 7/350 2026-03-25 14:28 by 3Strings
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤¿¼Ñе÷¼Á +9 ‹üÈA 2026-03-22 9/450 2026-03-25 13:09 by cmz0325
[¿¼ÑÐ] 081700 µ÷¼Á 267·Ö +10 ÃÔÈ˵Ĺþ¹þ 2026-03-23 10/500 2026-03-25 12:12 by userper
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +3 iwinso 2026-03-23 3/150 2026-03-25 11:29 by greychen00
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 4/200 2026-03-25 10:37 by barlinike
[¿¼ÑÐ] ÉϺ£µçÁ¦´óѧ²ÄÁÏ·À»¤ÓëвÄÁÏÖØµãʵÑéÊÒÕÐÊÕµ÷¼ÁÑо¿Éú£¨²ÄÁÏ¡¢»¯Ñ§¡¢µç»¯Ñ§£¬»·¾³£© +4 ÎÒ°®Ñ§µç³Ø 2026-03-23 4/200 2026-03-25 00:59 by 1027_324
[¿¼ÑÐ] ¿¼Ñе÷¼Á +4 ºôºô£¿~+123456 2026-03-24 4/200 2026-03-24 23:16 by barlinike
[¿¼ÑÐ] 085601Çóµ÷¼Á×Ü·Ö293Ó¢Ò»Êý¶þ +3 ¸ÖÌú´óÅÚ 2026-03-24 3/150 2026-03-24 22:03 by bingxueer79
[¿¼ÑÐ] ¹¤¿Æ0856Çóµ÷¼Á +5 ãåÎö͡͡ 2026-03-21 5/250 2026-03-23 17:56 by º£ÉªÞ±-
[¿¼ÑÐ] 308Çóµ÷¼Á +3 īīĮ 2026-03-21 3/150 2026-03-22 16:54 by i_cooler
[¿¼ÑÐ] Çóµ÷¼Á +7 Auroracx 2026-03-22 7/350 2026-03-22 12:38 by ËØÑÕÇã³Ç1988
[¿¼ÑÐ] ²ÄÁÏѧ˶301·ÖÇóµ÷¼Á +7 Liyouyumairs 2026-03-21 7/350 2026-03-21 22:31 by peike
[¿¼ÑÐ] Ò»Ö¾Ô¸Éî´ó£¬0703»¯Ñ§£¬×Ü·Ö302£¬Çóµ÷¼Á +4 ÆßÔÂ-ÆßÆß 2026-03-21 4/200 2026-03-21 18:20 by ѧԱ8dgXkO
[¿¼ÑÐ] Çóµ÷¼Á +3 .m.. 2026-03-21 4/200 2026-03-21 16:25 by barlinike
[¿¼ÑÐ] 0805²ÄÁÏ320Çóµ÷¼Á +3 ÉÎïÓï 2026-03-20 3/150 2026-03-21 15:46 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤£¨0856£©304Çó BÇø µ÷¼Á +3 Çñgl 2026-03-21 3/150 2026-03-21 13:47 by lature00
[¿¼ÑÐ] Äϲý´óѧ²ÄÁÏר˶311·ÖÇóµ÷¼Á +6 77chaselx 2026-03-20 6/300 2026-03-21 07:24 by JourneyLucky
[¿¼ÑÐ] 288Çóµ÷¼Á +16 ÓÚº£º£º£º£ 2026-03-19 16/800 2026-03-20 22:28 by JourneyLucky
[¿¼ÑÐ] AÇøÏß²ÄÁÏѧµ÷¼Á +5 ÖÜÖÜÎÞ¼« 2026-03-20 5/250 2026-03-20 21:33 by laoshidan
[¿¼ÑÐ] ²ÄÁÏѧ˶297ÒѹýËÄÁù¼¶Çóµ÷¼ÁÍÆ¼ö +11 adaie 2026-03-19 11/550 2026-03-20 21:30 by laoshidan
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û