| ²é¿´: 995 | »Ø¸´: 5 | ||
·çÏôÏôÆÜ½ð³æ (СÓÐÃûÆø)
|
[ÇóÖú]
Éó¸åÒâ¼û»Ø¸´ÇóÖú£¿
|
|
Éó¸åÈËÌáÁË4¸öÎÊÌ⣬ÆäÖÐÒ»¸öÈçÏ£¬ÕâÖÖÇé¿ö¸ÃÈçºÎ»Ø¸´£¿ÖØÐ²ÉÓÃGGA+u¼ÆË㣬ÊÇÒ»¸öºÜ·Ñʱ¼äµÄÊ£¬ÔÚ¸ø¶¨µÄʱ¼äÄÚÒ²ÄÑÍê³É¡£¸÷λ´óÏÀÓÐÓöµ½ÀàËÆµÄÇé¿öµÄ£¬¸øÖ§¸öÕС£¡£Ð»Ð»£¡ 2¡¢It is known that the 3d electrons have a strong correlation effects while standard GGA often cannot give an accurate and sometimes even wrong results, in particular on the electronic properties. It will be good if the authors can check whether the same conclusion can be obtained using GGA+U calculations. |
» ²ÂÄãϲ»¶
ÓжàÉÙÈËÊǽñÌì²éϵͳ֪µÀ½á¹ûµÄ£¿
ÒѾÓÐ17È˻ظ´
»ù½ð²»ÖУ¬¹²Ãã
ÒѾÓÐ4È˻ظ´
¹ú×ÔÈ»ÃæÉϸ´ÅÌ~»¶ÓÌÖÂÛ
ÒѾÓÐ5È˻ظ´
ÎÒ²»Àí½â£¡
ÒѾÓÐ23È˻ظ´
2026ÄêµÄ¹ú¼ÒÉç¿Æ»ù½ðÏîĿͨѶÆÀÉóµÄйæÔòÓëж¯Ïò¡¢ÐÂÌôÕ½
ÒѾÓÐ10È˻ظ´
ϵͳ²é²»µ½
ÒѾÓÐ10È˻ظ´
Ôõô²é°¡
ÒѾÓÐ5È˻ظ´
·¶½øÖоÙÒ»ÎĵÄÖÐÐÄ˼Ïë
ÒѾÓÐ10È˻ظ´
2026¹ú×ÔÈ»º¯ÆÀ·Ñµ½ÕË
ÒѾÓÐ25È˻ظ´
2026Äê8ÔÂ25ÈÕ¹ú×ÔÈ»·Å°ñǰͻȻÊÕµ½ÁÐÈëÆÀÉóר¼ÒÓʼþ£¬ÓйØÏµÂð£¿
ÒѾÓÐ28È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
»Ø¸´Éó¸åÒâ¼û£¬¼ÓÈëÁËÒ»¶Î¾ØÕóÔËËãµÄÎÄ×ÖÃèÊö£¬ÇóÖúÊÇ·ñºÏÀí
ÒѾÓÐ7È˻ظ´
ÇóÖú¸ßÈË£¬Ò»¸öÉó¸åÈ˸øÁËÕâÑùµÄÒâ¼û£¬Ó¦¸ÃÔõô»Ø¸´°¡£¬ËµÎÒÊÔÑé²ÉÓõ¥Ò»·½·¨
ÒѾÓÐ10È˻ظ´
Éó¸åÒâ¼ûÈçºÎ»Ø¸´£¬ÇóÖú
ÒѾÓÐ4È˻ظ´
ÇóÖú£ºÈç¾õµÃÉó¸åÈËÌáµÄÒâ¼û²»ÍêÈ«¶Ô£¬ÄǸÃÈçºÎ»Ø¸´Éó¸åÈ˰¡£¿
ÒѾÓÐ8È˻ظ´
ÇóÖú ²ôÔÓTiO2¹â´ß»¯ÂÛÎÄÒ»Éó¸åÒâ¼û µÄ»Ø¸´£¡
ÒѾÓÐ8È˻ظ´
¡¾ÇóÖú¡¿Âé·³°ïæ¿´¿´ÎÒµÄÉó¸åÒâ¼ûÔõô»Ø¸´°¡£¬¹ØÓÚSEIĤ
ÒѾÓÐ13È˻ظ´
ÇóÖú ÕâÑùµÄÉó¸åÒâ¼û¸ÃÔõô»Ø¸´
ÒѾÓÐ3È˻ظ´
ÇóÖú--ÅàÑø»ùÓÅ»¯·½ÃæÉó¸åÒâ¼û»Ø¸´
ÒѾÓÐ6È˻ظ´
ÇóÖú ÕâÑùµÄÉó¸åÒâ¼û¸ÃÔõô»Ø¸´
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿°ïæ¿´Õâ¸öÉó¸åÒâ¼ûÈçºÎ»Ø¸´
ÒѾÓÐ3È˻ظ´
Éó¸åÈËÒâ¼ûÇóÖú£¬Ôõô»Ø´ðÄØ
ÒѾÓÐ11È˻ظ´

bird007
ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)
²Èµ¥³µµÄ¼¾½Ú
- Ó¦Öú: 10 (Ó×¶ùÔ°)
- ¹ó±ö: 6.35
- ½ð±Ò: 17475.5
- É¢½ð: 5019
- ºì»¨: 48
- ɳ·¢: 1
- Ìû×Ó: 4644
- ÔÚÏß: 656.1Сʱ
- ³æºÅ: 21919
- ×¢²á: 2003-08-29
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ

2Â¥2012-09-12 21:44:27
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ÆÁ±ÎÄÚÈÝ, ÂÒÂë 2012-09-15 15:22:38
liliangfang: ÆÁ±ÎÄÚÈÝ, ÂÒÂë 2012-09-15 15:22:38
|
±¾ÌûÄÚÈݱ»ÆÁ±Î |
3Â¥2012-09-12 21:57:53
·çÏôÏôÆÜ
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 398
- É¢½ð: 6
- Ìû×Ó: 121
- ÔÚÏß: 540.1Сʱ
- ³æºÅ: 642278
- ×¢²á: 2008-10-31
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ

4Â¥2012-09-13 09:49:15
·çÏôÏôÆÜ
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 398
- É¢½ð: 6
- Ìû×Ó: 121
- ÔÚÏß: 540.1Сʱ
- ³æºÅ: 642278
- ×¢²á: 2008-10-31
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ

5Â¥2012-09-13 09:49:52
casjxm
ͳæ (ÕýʽдÊÖ)
- Ó¦Öú: 19 (СѧÉú)
- ½ð±Ò: 737.1
- É¢½ð: 20
- Ìû×Ó: 443
- ÔÚÏß: 356.1Сʱ
- ³æºÅ: 445122
- ×¢²á: 2007-10-27
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï ¡ï ¡ï ¡ï
·çÏôÏôÆÜ: ½ð±Ò+2, ¡ïÓаïÖú, лл¡£¡£ 2012-09-14 17:52:46
liliangfang: ½ð±Ò+2, лл½»Á÷ 2012-09-15 15:22:15
·çÏôÏôÆÜ: ½ð±Ò+2, ¡ïÓаïÖú, лл¡£¡£ 2012-09-14 17:52:46
liliangfang: ½ð±Ò+2, лл½»Á÷ 2012-09-15 15:22:15
| o, ¶ÔÓÚÇ¿¹ØÁªÌåϵuºÜÖØÒª£¬³ý·ÇÄãÄÜ˵Ã÷Äã×öµÄÌåϵÓëuÏà¹ØÐÔ²»´ó£¬¿ÉÒÔ¿´¿´ÓëÄã×öµÄÀàËÆ»¯ºÏÎïµÄÎÄÏ×±¨µÀ£¬Èç¹ûÓëuÏà¹ØÐԽϴóµÄ»°£¬Õâ¸ö¾Íû°ì·¨ÁË£¬Ö»ÄÜÉêÇëʱ¼äÑÓ³¤£¬¼ÌÐøËãÁË¡£ |
6Â¥2012-09-13 11:04:44









»Ø¸´´ËÂ¥
ͶƱ: