| ²é¿´: 548 | »Ø¸´: 2 | ||
ºÚ°µÓÎÏÀͳæ (ÕýʽдÊÖ)
|
[ÇóÖú]
cÖáÊ©¼ÓÒ»¸ö¶îÍâÓ¦Á¦À´²¹³¥Ìå»ý¹À¼Æ¹ý´óÊÇʲôÒâ˼£¿ ÒÑÓÐ1È˲ÎÓë
|
|
Geometric relaxations are done by keeping the in-plane lattice parameter ¡®a¡¯ fixed and relaxing the out-of-plane lattice parameter ¡®c¡¯. An external stress has been applied along the c axis in order to compensate for the overestimation of cell volume. ¹Ì¶¨a£¬³ÚÔ¥cÖᣬÔÚcÖá¼ÓÒ»¸ö¶îÍâÓ¦Á¦À´²¹³¥Ìå»ý¹À¼Æ¹ý´óÊÇʲôÒâ˼£¿Õâ¸öÓ¦Á¦¶à´ó£¿ÊDZ£³ÖÌå»ýÓëʵÑéÖµÏàͬÂ𣿠»¹ÓÐÁíһƪÎÄÕÂÖУºBefore we proceed we note that calculations with GGA+U overestimate lattice constant a by ~1%¡£Therefore £¬ we introduce a shift of the zero for sigma33, the out-of-plane component of the stress, so that sigma33 =0 for the cubic structure at the experimental lattice constant. Thus, the correct cubic structure is obtained at misfit strain =[a£¨exp£©-a]/a£¨exp£©=0 . Õâ¸öÒ²ÊÇÔÚcÖáÊ©¼ÓÓ¦Á¦£¬Ê¹µÃÓ¦Á¦Îª0ʱ¶ÔÓ¦ÓÚʵÑé¾§¸ñ³£Êý£¬µ«ÊÇÕâ¸öÓ¦Á¦ÊǶàÉÙ£¿ÎªÊ²Ã´ÒªÔÚcÖá¼Ó£¿ÔÚ¼ÆËãÆäÊÜÆäËüÓ¦Á¦Ê±£¬ÊDz»ÊÇcÖáÒ»Ö±¼ÓÓ¦Á¦£¿ |
» ²ÂÄãϲ»¶
317Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
¸´ÊÔµ÷¼Á£¬Ò»Ö¾Ô¸ÄÏÅ©083200ʳƷ¿ÆÑ§Ó빤³Ì
ÒѾÓÐ4È˻ظ´
һ־Ը̫ÔÀí¹¤°²È«¹¤³Ì300·Ö£¬Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
284Çóµ÷¼Á
ÒѾÓÐ11È˻ظ´
ʳƷ¹¤³Ìר˶Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
324Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
Ò»Ö¾Ô¸Î人Àí¹¤£¬×Ü·Ö321£¬Ó¢Ò»Êý¶þ£¬ÇóÀÏʦÊÕÁô¡£
ÒѾÓÐ4È˻ظ´
287Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
325Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
343Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
valenhou001
ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)
- 1STÇ¿Ìû: 13
- Ó¦Öú: 241 (´óѧÉú)
- ½ð±Ò: 25701.7
- É¢½ð: 602
- ºì»¨: 166
- Ìû×Ó: 3782
- ÔÚÏß: 873.8Сʱ
- ³æºÅ: 1007127
- ×¢²á: 2010-04-27
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
|
×îºÃÌù³öÄãÌáµ½µÄÎÄÏ׵ijö´¦£¬Àí½âÉÏÏÂÎÄ£¬²ÅÄܸüÀí½âÎÄÕµÄ×÷ÕßΪʲôҪÔõô×ö¡£ ¾ÍµÚÒ»¸ö£¬ µ±Æ½ÃæÄڵľ§¸ñ³£Êýa¹Ì¶¨£¬ÄÇÆ½Ãæ·¨Ïò·½ÏòÉϵľ§¸ñ³£ÊýcÔÚÓÅ»¯¿ÉÄܱä´ó»ò±äС£¬ÓÅ»¯µÄÄ¿µÄÊÇʹµÃ·¨Ïò·½ÏòÉϵÄÓ¦Á¦ÎªÁã¡£ÓÉ´Ë£¬¿ÉÀí½â×÷ÕßÄÇÑùÃèÊöµÄ×ö·¨ÊÇΪÁ˱£³ÖÌå»ý²»±ä£¬¶øÇҹ̶¨Æ½ÃæÄڵľ§¸ñ³£Êý¡£ £¨²»¹ýÕâÖÖ×ö·¨µÄÃèÊö¸Ð¾õºÜ±ðŤ£©¡£ |
2Â¥2014-12-02 19:55:28
ºÚ°µÓÎÏÀ
ͳæ (ÕýʽдÊÖ)
- Ó¦Öú: 12 (СѧÉú)
- ½ð±Ò: 15.6
- É¢½ð: 211
- ºì»¨: 1
- Ìû×Ó: 443
- ÔÚÏß: 245.7Сʱ
- ³æºÅ: 1471646
- ×¢²á: 2011-11-01
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
|
¸ÐлºîÀÏʦµÄ»ØÌû£¡ µÚһƪÎÄÕÂReversible control of magnetic interactions by electric field in a single-phase material Nature Communications 4, Article number: 1334 doi:10.1038/ncomms2329 Published 08 January 2013 µÚ¶þƪÎÄÕÂMagnetic and Electric Phase Control in Epitaxial EuTiO3 from First Principles Phys. Rev. Lett. 97, 267602 ¨C Published 29 December 2006 ÒòΪÕâÁ½ÆªÎÄÕ¶¼ÊǶÔETOÊ©¼Óa¡¢bË«ÖáÓ¦Á¦,¿Ï¶¨¶¼Êǹ̶¨a¡¢b³ÚÔ¥cÖᣬÎÒÔÚÏëÊDz»ÊÇÎÄÕÂÊ×ÏȼÆËãÁËÔÚ²»ÊÜÓ¦Á¦Çé¿öϹ̶¨a¡¢b³ÚÔ¥cÖᣬÕâʱcÖá±ÈʵÑéÖµ´ó£¬È»ºóÔÚcÖá¼ÓÒ»¸öÓ¦Á¦Ê¹µÃÆä±ä³ÉʵÑéÖµ²¢¼ÆËã³öÕâ¸öÓ¦Á¦Öµ¡£È»ºó¼ÆËãÊÜË«ÖáÓ¦Á¦Ê±£¬Ò²»á³ÚÔ¥³öÒ»¸öcÖáµÄÖµ£¬ÕâʱҲÔÚ´ËÖµÉÏÔÙ¼ÓÒ»¸öÏàͬµÄÓ¦Á¦¡£²»ÖªµÀÕâÑùÀí½â¶Ô²»¶Ô£¿»¹ÊÇ˵ÎÄÕÂÖ±½Ó¾Í²ÉÓÃʵÑéÖµ£¬ÔÚ¼ÓÓ¦Á¦µÄʱºò±£³ÖÌå»ý²»±ä£¿ |
3Â¥2014-12-03 17:09:43














»Ø¸´´ËÂ¥
5