²é¿´: 3356  |  »Ø¸´: 11
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

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
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
²é¿´È«²¿ 12 ¸ö»Ø´ð
¡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
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 329Çóµ÷¼Á +5 ÏëÉÏѧ߹߹ 2026-03-19 5/250 2026-03-19 23:56 by 23Postgrad
[¿¼ÑÐ] 081700»¯¹¤Ñ§Ë¶µ÷¼Á +3 ¡¾1¡¿ 2026-03-16 3/150 2026-03-19 23:40 by edmund7
[¿¼ÑÐ] 307Çóµ÷¼Á +9 ÀäóÏ123 2026-03-17 9/450 2026-03-19 22:44 by ѧԱ8dgXkO
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +6 Ð÷ÐÒÓë×Ó 2026-03-17 6/300 2026-03-19 13:27 by houyaoxu
[¿¼ÑÐ] 085601ר˶£¬×Ü·Ö342Çóµ÷¼Á£¬µØÇø²»ÏÞ +5 share_joy 2026-03-16 5/250 2026-03-18 14:48 by haxia
[¿¼ÑÐ] 311Çóµ÷¼Á +6 26ÑÐ0 2026-03-15 6/300 2026-03-18 14:43 by haxia
[¿¼ÑÐ] 0854¿É¿çµ÷¼Á£¬Ò»×÷Ò»ÏîºËÐÄÂÛÎÄÎåÏîרÀû£¬Ê¡¡¢¹ú¼¶Ö¤Êé40+ÊýÒ»Ó¢Ò»287 +8 СÀî0854 2026-03-16 8/400 2026-03-18 14:35 by ²«»÷518
[¿¼ÑÐ] 297Çóµ÷¼Á +8 Ï·¾«µ¤µ¤µ¤ 2026-03-17 8/400 2026-03-18 14:30 by laoshidan
[¿¼ÑÐ] 070300»¯Ñ§319Çóµ÷¼Á +6 ½õÀð0909 2026-03-17 6/300 2026-03-18 13:22 by Iveryant
[¿¼ÑÐ] 302Çóµ÷¼Á +10 ºôºôºô¡£¡£¡£¡£ 2026-03-17 10/500 2026-03-18 12:45 by Linda Hu
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +3 ÄÝÄÝninicgb 2026-03-17 3/150 2026-03-18 10:29 by macy2011
[¿¼ÑÐ] ²ÄÁÏ£¬·ÄÖ¯£¬ÉúÎ0856¡¢0710£©£¬»¯Ñ§ÕÐÉúÀ² +3 Eember. 2026-03-17 9/450 2026-03-18 10:28 by Eember.
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁϹ¤³Ì£¨085601£©×¨Ë¶ÓпÆÑо­ÀúÈýÏî¹ú½±Á½¸öʵÓÃÐÍרÀûÒ»ÏîÊ¡¼¶Á¢Ïî +6 ´ó»ðɽС»ðɽ 2026-03-16 8/400 2026-03-17 15:05 by ÎÞи¿É»÷111
[¿¼²©] 26É격 +4 °Ë6°Ë68 2026-03-16 4/200 2026-03-17 13:00 by ÇáËɲ»ÉÙËæ
[¿¼ÑÐ] 275Çóµ÷¼Á +4 Ì«Ñô»¨ÌìÌ쿪ÐÄ 2026-03-16 4/200 2026-03-17 10:53 by ¹¦·ò·è¿ñ
[¿¼ÑÐ] ҩѧ383 Çóµ÷¼Á +3 ҩѧchy 2026-03-15 4/200 2026-03-16 20:51 by Ôª×Ó^0^
[»ù½ðÉêÇë] ½ñÄêµÄ¹ú»ù½ðÊÇ´ò·ÖÖÆÂ𣿠50+3 zhanghaozhu 2026-03-14 3/150 2026-03-16 17:07 by ±±¾©À³ÒðÈóÉ«
[¿¼ÑÐ] 321Çóµ÷¼Á +5 ´óÃ×·¹£¡ 2026-03-15 5/250 2026-03-16 16:33 by houyaoxu
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[˶²©¼ÒÔ°] 085600 260·ÖÇóµ÷¼Á +3 Ìì¿Õ»¹ÏÂÓêô 2026-03-13 5/250 2026-03-13 18:46 by Ìì¿Õ»¹ÏÂÓêô
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û