²é¿´: 625  |  »Ø¸´: 3

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

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

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
¼òµ¥»Ø¸´
shlw05314Â¥
2013-07-02 07:08  
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ excellencer µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏѧ˶£¬Çóµ÷¼Á 6+4 ÌǺù«888ll 2026-03-22 9/450 2026-03-25 11:19 by greychen00
[¿¼ÑÐ] »¯Ñ§µ÷¼Á +6 yzysaa 2026-03-21 6/300 2026-03-25 09:27 by aa331100
[¿¼ÑÐ] 289²ÄÁÏÓ뻯¹¤£¨085600£©BÇøÇóµ÷¼Á +4 ÕâôÃû×ÖÕ¦Ñù 2026-03-22 5/250 2026-03-25 08:20 by mx.yue
[¿¼ÑÐ] ÉúÎïѧѧ˶Çóµ÷¼Á +7 СÑò˯×ÅÁË? 2026-03-23 10/500 2026-03-25 02:24 by Çå·ç·÷Ñï¡£ m
[¿¼ÑÐ] 0856²ÄÁÏר˶353Çóµ÷¼Á +6 NIFFFfff 2026-03-20 6/300 2026-03-24 21:02 by helloÆßÆß
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á£¬Çóµ¼Ê¦ÊÕ +7 ÌìÌìºÃÔËÀ´Éϰ¶° 2026-03-24 7/350 2026-03-24 20:26 by peike
[¿¼ÑÐ] Ò»Ö¾Ô¸211 ³õÊÔ270·Ö Çóµ÷¼Á +5 ¹ÈÓêÉϰ¶ 2026-03-23 6/300 2026-03-24 16:32 by laoshidan
[¿¼ÑÐ] 307Çóµ÷¼Á +5 ³¬¼¶ÒÁ°º´óÍõ 2026-03-24 5/250 2026-03-24 15:46 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 344Çóµ÷¼Á +3 desto 2026-03-24 3/150 2026-03-24 10:09 by ²«»÷518
[¿¼ÑÐ] Ò»Ö¾Ô¸ºÓ±±¹¤Òµ´óѧ0817»¯¹¤278·ÖÇóµ÷¼Á +7 jhybd 2026-03-23 12/600 2026-03-24 09:03 by jhybd
[¿¼ÑÐ] Çóµ÷¼Á +7 Ê®Èý¼ÓÓÍ 2026-03-21 7/350 2026-03-23 23:48 by ÈÈÇéɳĮ
[¿¼ÑÐ] Çóµ÷¼Á²ÄÁÏѧ˶080500£¬×Ü·Ö289·Ö 5+3 @taotao 2026-03-19 21/1050 2026-03-23 10:17 by ¹Úc¸ç
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«»ª´óѧ»¯Ñ§070300£¬Çóµ÷¼Á +7 2117205181 2026-03-21 8/400 2026-03-22 22:55 by chixmc
[¿¼ÑÐ] 308Çóµ÷¼Á +3 īīĮ 2026-03-21 3/150 2026-03-22 16:54 by i_cooler
[¿¼ÑÐ] 260Çóµ÷¼Á +3 ÖìÜÆÁÕ 2026-03-20 4/200 2026-03-22 15:12 by ÖìÜÆÁÕ
[¿¼ÑÐ] ³õÊÔ 317 +7 °ëÀ­Ô±û 2026-03-20 7/350 2026-03-21 22:26 by peike
[¿¼ÑÐ] 266Çóµ÷¼Á +3 ÍÛºôºßºôºß 2026-03-20 3/150 2026-03-21 16:46 by barlinike
[¿¼ÑÐ] 330Çóµ÷¼Á +4 С²Ä»¯±¾¿Æ 2026-03-18 4/200 2026-03-20 23:13 by JourneyLucky
[¿¼ÑÐ] 317Çóµ÷¼Á +5 Éê×ÓÉêÉê 2026-03-19 9/450 2026-03-20 22:26 by JourneyLucky
[¿¼ÑÐ] 320Çóµ÷¼Á0856 +3 ²»ÏëÆðÃû×Ö112 2026-03-19 3/150 2026-03-19 22:53 by ѧԱ8dgXkO
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û