Znn3bq.jpeg
²é¿´: 3409  |  »Ø¸´: 11

g_xq96

Òø³æ (СÓÐÃûÆø)


[½»Á÷] ¡¾ÇóÖú¡¿CASTEP¼ÆËã½áºÏÄܵÄÎÊÌ⣿

ÎÒÓÃÏÂÃæÕâ¸ö¹«Ê½Ëã½áºÏÄÜ£º
Ebind=E(AB)-E(A)-E(B)
µÃµ½µÄ½áºÏÄܶ¼ÊÇһЩºÜСµÄÕýÊý¡£ÈçÏ£º
0.27ev
0.30ev
0.12ev
0.30ev
0.25ev
0.07ev
0.21ev
0.43ev
ËûÃÇ˵½áºÏÄܱØÐëΪ¸ºÊý£¬¸ºµÃÔ½¶àÔ½Îȶ¨£¿

ÎҵIJÄÁÏ£¬¶¼ÎªÕýÊý£¬ÊÇ·ñ˵Ã÷ÕâÖÖ²ÄÁϲ»ÄÜÎȶ¨´æÔÚ£¿»¹ÊÇÆäËûÉñÂí£¿


Çë¸ßÊÖ°ïæָµãһϣ¬·Ç³£¸Ðл£¡
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

µÚÒ»ÐÔÔ­Àí

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï
sunyang1988(½ð±Ò+1): лл½»Á÷ 2011-01-18 17:52:33
ÒýÓûØÌû:
Originally posted by g_xq96 at 2011-01-18 16:51:02:
ÎÒÓÃÏÂÃæÕâ¸ö¹«Ê½Ëã½áºÏÄÜ£º
Ebind=E(AB)-E(A)-E(B)
µÃµ½µÄ½áºÏÄܶ¼ÊÇһЩºÜСµÄÕýÊý¡£ÈçÏ£º
0.27ev
0.30ev
0.12ev
0.30ev
0.25ev
0.07ev
0.21ev
0.43ev
ËûÃÇ˵½áºÏÄܱØÐëΪ¸ºÊý£¬¸ºµÃÔ½¶àÔ½Îȶ¨£¿
...

¸ù¾ÝÕâÑùµÄ¶¨Ò壬¿Ï¶¨ÊǸºµÄÎȶ¨
ÕýµÄ½áºÏÄÜÓ¦¸ÃÊDz»½áºÏ£¬½á¹¹²»Îȶ¨²Å¶Ô
2Â¥2011-01-18 17:06:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï
zzy870720z(½ð±Ò+1): ллָ½Ì 2011-01-18 17:57:06
g_xq96(½ð±Ò+1): 2011-01-19 14:48:00
ÕýµÄÄÜÁ¿·´Ó¦ÕâÁ½ÖÖÎïÖʲ»ÄÜÔÚÔ­×Ó¼¶±ð»ìºÏ
3Â¥2011-01-18 17:37:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï ¡ï
zzy870720z(½ð±Ò+2): ллָ½Ì 2011-01-18 18:40:56
g_xq96(½ð±Ò+1): 2011-01-19 14:48:38
ÒýÓûØÌû:
Originally posted by g_xq96 at 2011-01-18 16:51:02:
ÎÒÓÃÏÂÃæÕâ¸ö¹«Ê½Ëã½áºÏÄÜ£º
Ebind=E(AB)-E(A)-E(B)
µÃµ½µÄ½áºÏÄܶ¼ÊÇһЩºÜСµÄÕýÊý¡£ÈçÏ£º
0.27ev
0.30ev
0.12ev
0.30ev
0.25ev
0.07ev
0.21ev
0.43ev
ËûÃÇ˵½áºÏÄܱØÐëΪ¸ºÊý£¬¸ºµÃÔ½¶àÔ½Îȶ¨£¿
...

ÉÏÃæµÄE(AB) ÊÇ»¯ºÏÎïµÄÄÜÁ¿

E(A)ºÍE(B) Ó¦¸ÃÊÇ µ¥¸ö¹ÂÁ¢Ô­×ÓµÄÄÜÁ¿

Èç¹ûÕâÑù»¹ÊÇÕýÖµ£¬ÄÇôÕâ¸ö»¯ºÏÎïÔÚ»ù̬ÏÂÊDz»Îȶ¨µÄ
4Â¥2011-01-18 18:25:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

g_xq96

Òø³æ (СÓÐÃûÆø)


лл

§Ý§Ý
5Â¥2011-01-19 14:50:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

g_xq96

Òø³æ (СÓÐÃûÆø)


6Â¥2011-01-22 10:43:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

g_xq96

Òø³æ (СÓÐÃûÆø)


7Â¥2011-01-30 15:58:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

awmc2008

ÖÁ×ðľ³æ (ÎÄ̳¾«Ó¢)


¡ï
zzy870720z(½ð±Ò+1): ¹ÄÀø½»Á÷ 2011-02-03 18:03:18
E(A)¡¢E(B)Ó¦¸ÃÊÇ»¯Ñ§ÊÆ£¬ÈçºÎ¼ÆËãÐèÉ÷ÖØ¡£×¢ÒâÒ»¸ö¾§°ûÖÐÓм¸¸öÔ­×Ó¡£
8Â¥2011-02-01 20:01:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

duyujie442

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


ÎÒÒ²¿ªÊ¼Ñо¿Õâ¸ö£¬Ð»Ð»£¡
10Â¥2011-02-06 23:49:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
g_xq96(½ð±Ò+1): 2011-04-28 14:31:30
ÒýÓûØÌû:
Originally posted by g_xq96 at 2011-01-18 16:51:02:
ÎÒÓÃÏÂÃæÕâ¸ö¹«Ê½Ëã½áºÏÄÜ£º
Ebind=E(AB)-E(A)-E(B)
µÃµ½µÄ½áºÏÄܶ¼ÊÇһЩºÜСµÄÕýÊý¡£ÈçÏ£º
0.27ev
0.30ev
0.12ev
0.30ev
0.25ev
0.07ev
0.21ev
0.43ev
ËûÃÇ˵½áºÏÄܱØÐëΪ¸ºÊý£¬¸ºµÃÔ½¶àÔ½Îȶ¨£¿
...

ÎÊÌâ½â¾öÁË£¿
11Â¥2011-04-25 20:17:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Õâ¶ùµÄµÄ

гæ (СÓÐÃûÆø)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
»¯Ñ§ÊƵļÆË㣬ÊǽṹÓÅ»¯ºóµÄÄÜÁ¿³ýÒÔÔ­×Ó¸öÊýÂð
12Â¥2021-05-31 19:56:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
chdx06189Â¥
2011-02-01 22:43   »Ø¸´  
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ g_xq96 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0860004 Çóµ÷¼Á 309·Ö +3 Yin DY 2026-04-08 3/150 2026-04-08 23:16 by ÄÐÈ˺£Ñó¡ª
[¿¼ÑÐ] Çóµ÷¼ÁÇóµ÷¼Á +13 121. 2026-04-02 13/650 2026-04-08 21:36 by zhouxiaoyu
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +13 ŬÁ¦·Ü¶·112 2026-04-08 13/650 2026-04-08 21:17 by ѧԱtURuqU
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Àí¹¤085601²ÄÁϹ¤³Ì303·ÖÇóµ÷¼Á +15 a1708 2026-04-06 15/750 2026-04-08 16:23 by luoyongfeng
[¿¼ÑÐ] 283Çóµ÷¼Á +19 A child 2026-04-04 19/950 2026-04-08 14:26 by xingguangj
[¿¼ÑÐ] 22408 266Çóµ÷¼Á +11 masss11222 2026-04-07 14/700 2026-04-08 11:06 by yulian1987
[¿¼ÑÐ] 283·ÖÇóµ÷¼Á +14 ÊÔÊÔ¿´ß 2026-04-04 14/700 2026-04-08 07:03 by lijunpoly
[¿¼ÑÐ] ¼ÆËã»ú11408 287 Çóµ÷¼Á +3 LiLe5 2026-04-07 3/150 2026-04-07 23:15 by shanqishi
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +12 ÏàÐűػá¹ââÍòÕ 2026-04-06 15/750 2026-04-07 21:22 by ÇÇßÕßÕßÕ
[¿¼ÑÐ] 080500Çóµ÷¼Á +12 »ÆÓ 2026-04-06 12/600 2026-04-07 12:41 by upczlm1989
[¿¼ÑÐ] ²ÄÁϹ¤³Ì310ר˶µ÷¼Á +14 ÀÌÀÌÎÒ¡­. 2026-04-04 15/750 2026-04-06 14:18 by lqwchd
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-05 4/200 2026-04-06 12:29 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] 277Çóµ÷¼Á +5 ¿¼Ñе÷¼Álxh 2026-04-05 5/250 2026-04-05 19:03 by chy09050039
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉϺ£´óѧÉúÎïѧ346 +3 ÉϺ£´óѧ346µ÷¼Á 2026-04-03 3/150 2026-04-04 20:20 by dongzh2009
[¿¼ÑÐ] ²ÄÁÏ383Çóµ÷¼Á +5 ¹ùÑôÑôÑô³É 2026-04-04 5/250 2026-04-04 19:06 by dongzh2009
[¿¼ÑÐ] Çóµ÷¼Á +3 ffyyu 2026-04-02 3/150 2026-04-04 19:03 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 309Çóµ÷¼Á +6 ÁõÁõÁõ1231 2026-04-02 7/350 2026-04-04 13:41 by liucky
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-03 16:46 by wxiongid
[¿¼ÑÐ] 289-Çóµ÷¼Á +4 ÕâÀïÊÇ_ 2026-04-03 4/200 2026-04-03 14:23 by 1753564080
[¿¼ÑÐ] 330Çóµ÷¼Á +3 °×ÉñÎØºôºô 2026-04-02 3/150 2026-04-03 10:15 by À¶ÔÆË¼Óê
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û