Znn3bq.jpeg
²é¿´: 4971  |  »Ø¸´: 8
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

kimho

гæ (³õÈëÎÄ̳)

[ÇóÖú] ÈçºÎÓÃVASP¼ÆËãspin-spiral (SS)stateÒÔ¼°¸úspin-orbital coupling(SOC)µÄ¹ØÏµ

VASPÖ»¿´µ½ÈçºÎ¼ÆËã×ÔÐý¹ìµÀñîºÏ(SOC)£¬µ«ÊÇÒ»Ö±²»ÖªµÀÓ¦¸ÃÈçºÎ¼ÆËãspin-spiral state£¬INCARÓ¦¸ÃÉèÖÃÄÄЩ²ÎÊý£¬¸úSOCµÄ¼ÆËãÒ»Ñùô£¿
ÁíÍâÎÄÏ×ÔÚ¼ÆËãSS̬ÖУ¬¾­³£»áÌáµ½ Spin spiral vector q£¬ÇëÎÊÕâ¸öqÓÖÊÇÈçºÎ¼ÆËãµÃµ½µÄ£¿
лл
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

kimho

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
3Â¥: Originally posted by zhang668 at 2012-11-07 17:14:47
INCARÖ÷ÒªÉèÖ÷ǹ²ÏߵĴžأ¬¸ù¾ÝÂÝÐýµÄ·½Ïò£¬¶Ôÿ¸öFeÔ­×Ó½øÐÐÉèÖá£Í¬Ê±´ò¿ª×ÔÑ¡¹ìµÀñîºÏ¡£
²¨Ê¸qÊÇÖÐ×ÓÉ¢ÉäʵÑé²âµÃµÄ£¬¾ÍÊÇÖÜÆÚµÄµ¹Êý£¬±ÈÈçq=1/2,ÄÇô¼ÆËãµÄʱºò¾ÍÒªÓÃ2±¶µÄµ¥°û²ÅÄÜÄ£Äâ´Å½á¹¹¡£
²»¹ýÈç¹ûÊÇ ...

ÇëÎÊ£¬ÓÐʱºòq»áÊÇһЩºÜСµÄÊý£¬±ÈÈ磨0.15,0,1£©£¬Õâ¸öʱºòÓ¦¸ÃÈçºÎÉèÖÃsupercellÄØ£¿
лл
4Â¥2012-11-07 17:40:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 9 ¸ö»Ø´ð

kimho

гæ (³õÈëÎÄ̳)

±ÈÈçÁ´½Ó¸ø³öµÄÎĵµµÄµÚ23Ò³£¬×÷Õß¼ÆËãÁËfcc FeµÄspin spiral q vector£¬ÊµÔÚ²»ÖªµÀËûÊÇÔõôËã³öÀ´µÄ, http://www.vasp.at/vasp-workshop/slides/magnetism.pdf
Çë¸ßÊÖ¸øµãÌáʾ°É£¬Ð»Ð»
2Â¥2012-11-07 16:38:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhang668

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
WDD880227: ½ð±Ò+2, ¶àлָ½Ì 2012-11-07 18:59:32
INCARÖ÷ÒªÉèÖ÷ǹ²ÏߵĴžأ¬¸ù¾ÝÂÝÐýµÄ·½Ïò£¬¶Ôÿ¸öFeÔ­×Ó½øÐÐÉèÖá£Í¬Ê±´ò¿ª×ÔÑ¡¹ìµÀñîºÏ¡£
²¨Ê¸qÊÇÖÐ×ÓÉ¢ÉäʵÑé²âµÃµÄ£¬¾ÍÊÇÖÜÆÚµÄµ¹Êý£¬±ÈÈçq=1/2,ÄÇô¼ÆËãµÄʱºò¾ÍÒªÓÃ2±¶µÄµ¥°û²ÅÄÜÄ£Äâ´Å½á¹¹¡£
²»¹ýÈç¹ûÊǷǹ²¶ÈµÄ»°£¬Ò²¿ÉÒÔÓýӽüµÄ¾§¸ñÖÜÆÚÀ´Ä£Äâ¡£
3Â¥2012-11-07 17:14:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhang668

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
kimho: ½ð±Ò+20, ¡ï¡ï¡ïºÜÓаïÖú 2012-11-08 10:01:27
0.15½Ó½ü1/6,¿ÉÒÔÈ¡6±¶µÄ³¬°û
5Â¥2012-11-08 09:16:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸085802 323·ÖÇóµ÷¼Á +12 drizzle_9 2026-04-12 13/650 2026-04-13 01:15 by ÐÒÃâ ..
[¿¼ÑÐ] 280Çóµ÷¼Á +7 ÙâÙâÒ¹Ò¹ 2026-04-09 10/500 2026-04-12 00:33 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 22408µ÷¼Á315·Ö +3 zhuangyan123 2026-04-09 3/150 2026-04-12 00:25 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +16 Ò¶zilin 2026-04-10 16/800 2026-04-11 11:04 by may_ÐÂÓî
[¿¼ÑÐ] ÉúÎïѧ308Çóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +6 ÏàÐűػá¹ââÍòÕ 2026-04-10 6/300 2026-04-11 05:23 by zhuwenxu
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +23 ŬÁ¦·Ü¶·112 2026-04-08 23/1150 2026-04-10 23:29 by 314126402
[¿¼ÑÐ] 368Çóµ÷¼Á +3 17385968172 2026-04-10 3/150 2026-04-10 20:12 by µç×Ӱµ±ë
[¿¼ÑÐ] Çóµ÷¼Á +5 ²»»á·ÉµÄÓã@ 2026-04-10 5/250 2026-04-10 19:07 by chemisry
[¿¼ÑÐ] Ò»Ö¾Ô¸¾©Çø985£¬085401£¬Óë±¾¿Æ×¨ÒµÒ»Ö£¬µç×ÓÐÅÏ¢¹¤³Ì£¬ +4 Ñô¹â¿ªÀʵÄÄк¢ 2026-04-10 4/200 2026-04-10 18:27 by shenrf
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +27 ŬÁ¦·Ü¶·112 2026-04-07 30/1500 2026-04-10 15:06 by Kilig0317
[¿¼ÑÐ] ³õÊÔ·Ö332£¬Ò»Ö¾Ô¸±¨¿¼Î÷±±¹¤Òµ´óѧ£¬ +11 ¹ÊÈË?? 2026-04-09 11/550 2026-04-09 21:54 by JineShine
[¿¼ÑÐ] 274Çóµ÷¼Á +5 ɽ°¢Âû 2026-04-07 5/250 2026-04-09 15:28 by 18828373951
[¿¼ÑÐ] »¯Ñ§¹¤³ÌÓë¼¼Êõרҵһ־Ը¹þ¹¤³Ì 291·ÖBÇø ¹ú¼Ò¼¶´ó´´¸ºÔðÈË ÓÐÒ»×÷ÂÛÎÄ +13 Emmy~ 2026-04-09 13/650 2026-04-09 14:47 by onlyÖÜ
[¿¼ÑÐ] Çóµ÷¼Á£¬ÏÖÔÚ»¹ÄÜÌîµÄ +3 Éϰ¶Ð¡Ó¨¼ÓÓÍ 2026-04-08 3/150 2026-04-08 14:30 by zhq0425
[¿¼ÑÐ] 277Çóµ÷¼Á +4 ¿¼Ñе÷¼Álxh 2026-04-06 6/300 2026-04-08 10:40 by ÄæË®³Ë·ç
[¿¼ÑÐ] 338Çóµ÷¼Á +8 wxygxsaaaaa 2026-04-06 8/400 2026-04-08 06:58 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] »úе¹¤³Ì264ѧ˶Çóµ÷¼Á +3 qiushangxian 2026-04-06 3/150 2026-04-08 01:53 by Linzejun
[¿¼ÑÐ] ÐŹ¤Ëù11408 340·Ö ±¾¿ÆÎ÷°²½»´ó×Ô¶¯»¯ +3 moontrek 2026-04-06 3/150 2026-04-07 09:56 by chongya
[¿¼ÑÐ] 327¿¼Ñе÷¼ÁÍÆ¼ö +6 ÎØÎØÎØÎØÄØ 2026-04-06 6/300 2026-04-06 21:39 by à£à£à£0119
[¿¼ÑÐ] 285Çóµ÷¼Á +5 mapmath 2026-04-06 6/300 2026-04-06 17:18 by À¶ÔÆË¼Óê
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û