| ²é¿´: 750 | »Ø¸´: 1 | |||
| ¡¾ÐüÉͽð±Ò¡¿»Ø´ð±¾ÌûÎÊÌ⣬×÷Õß135791yx@½«ÔùËÍÄú 15 ¸ö½ð±Ò | |||
135791yx@гæ (СÓÐÃûÆø)
|
[ÇóÖú]
ÐγÉÄÜ ÒÑÓÐ1È˲ÎÓë
|
||
|
¼ÆËãÐγÉÄÜ£¬Ôõô¼ÆËãµ¥¸öÔ×ÓµÄÐγÉÄÜÄØ£¿ ·¢×ÔСľ³æÊÖ»ú¿Í»§¶Ë |
» ²ÂÄãϲ»¶
Õе÷¼Á
ÒѾÓÐ22È˻ظ´
AÇøÒ»±¾½»²æ¿ÎÌâ×飬µÍ·Öµ÷¼Á£¬ÕÐÊÕ»úеµç×ÓÐÅϢͨÐŵȽ»²æ·½Ïò
ÒѾÓÐ57È˻ظ´
083000£¬×Ü·Ö284£¬Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
½øÈë¸öÈ˳ɹû¿âºÃÄÑ£¬Ò»ÏÂÎ綼û½øÈ¥
ÒѾÓÐ6È˻ظ´
н®´óѧµØÖÊÓë¿óÒµ¹¤³ÌѧԺÕÐÉú
ÒѾÓÐ21È˻ظ´
»¯Ñ§¹¤³ÌÓë¼¼Êõ316Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
0817»¯Ñ§¹¤³ÌÓë¼¼Êõ312·ÖÇóµ÷¼Á
ÒѾÓÐ7È˻ظ´
»¯Ñ§¹¤³ÌÇóµ÷¼Á
ÒѾÓÐ12È˻ظ´
337Ò»Ö¾Ô¸»ªÄÏÀí¹¤²ÄÁÏÇóµ÷¼Á
ÒѾÓÐ4È˻ظ´
301Çóµ÷¼Á
ÒѾÓÐ10È˻ظ´
rlafite
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 190 (¸ßÖÐÉú)
- ½ð±Ò: 9911.6
- ºì»¨: 28
- ɳ·¢: 1
- Ìû×Ó: 894
- ÔÚÏß: 340.5Сʱ
- ³æºÅ: 4563202
- ×¢²á: 2016-04-02
- ÐÔ±ð: GG
- רҵ: ͬ²½·øÉä¼¼Êõ¼°ÆäÓ¦ÓÃ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
|
Calculate the total energy of a pure elemental crystal and divide it by the total atom number in the unit cell Say, Copper (Cu) has a face-centered cubic (FCC) crystal structure, you can get the total energy E from a DFT calculation. There are 4 atoms in the unit cell (one on the corner, 3 on the surface), so the formation energy of Cu is E/4. |
2Â¥2025-09-02 22:53:09













»Ø¸´´ËÂ¥