±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1174  |  »Ø¸´: 8
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

Illusionist

Òø³æ (ÕýʽдÊÖ)

[ÇóÖú] FTO(F-SnO2)µÄÐγÉÄܵļÆËã

͸Ã÷µ¼µç±¡Ä¤FTO£¬¹ØÓÚÆäÖÐFÌæÎ»OµÄÐγÉÄܵļÆË㣬
¼ÆËãµÃµ½F_Oת»»ÎªF_O_+1µÄÄÜÁ¿ÎªEf-Ev=2.0033eV×óÓÒ£¬Ò²¾ÍÊÇ˵FÊÇÉîÄܼ¶£¿

ËÆºõ¼ÆËã´æÔÚһЩÎÊÌ⡣ϣÍû¸÷λÀÏʦͬѧ£¬¸øµãÒâ¼ûºÍ°ïÖú
¸Ð¼¤²»¾¡


INCAR£º

SYSTEM=SnO2_F
ENCUT=520
GGA=PE
ISMEAR=-5
NSW=60
IBRION=2
ISIF=2
POTIM=0.5
EDIFF=1E-6
EDIFFG=1E-3
PREC=Accurate
NELECT=624




[ Last edited by Illusionist on 2012-7-24 at 15:58 ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

huangll99

ľ³æ (Ö°Òµ×÷¼Ò)

ÒýÓûØÌû:
8Â¥: Originally posted by Illusionist at 2012-08-08 16:58:01
¶Ô°¡¡¤¡¤¼ÆËã½á¹ûÏÔʾÊÇÉîÄܼ¶£¬µ«ÊÇʵ¼ÊÉϲ»Êǰ¡¡¤¡¤¡¤¡¤¡¤¡¤...

ÄǾÍÊÇÄãµÄ¼ÆËã·½·¨µÄÎÊÌâÁË£¬¶øÇÒLDAÖ®ÀàµÄºÜ¿ÉÄÜËãµÄÓÐÎÊÌâ¡£¡£¡£
9Â¥2012-08-09 08:29:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 9 ¸ö»Ø´ð

frank_zhan

½ð³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
fzx2008: ½ð±Ò+2, лл»ØÌû£¡ 2012-07-24 20:36:09
Illusionist: ½ð±Ò+5, ¡ïÓаïÖú, ²»Í¬µçºÉ״̬µÄÐγÉÄܵĽ»µã£¬¾ÍÊÇת»»ÄÜÁ¿£¬Õâ¸ö´ø¿íÏÖÔÚÒ»°ãÓõͼÊÇʵÑéÖµ£¨3.6eV£¬¶ø²»ÊÇÀíÂÛÖµ1.1×óÓÒ£© 2012-07-25 08:18:56
ºÃÏñÉîÄܼ¶Ö»ÒªÊÇ¿´¸ÃÄܼ¶ÀëCBMºÍVBMµÄÄÜÁ¿¼ä¸ô°É£¬±È½Ï¿¿½üµÄ¾ÍÊÇCBM»òÕßVBMµÄ¾ÍÊÇdzÄܼ¶£¬±È½ÏÔ¶µÄ¾ÍÊÇÉîÄܼ¶°É¡£¸úÐγÉÄܹØÏµ²»Ì«´ó°É¡£
frank_zhan,zy2zhan@gmail.com
2Â¥2012-07-24 18:38:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

frank_zhan

½ð³æ (ÕýʽдÊÖ)

²»¹ýÎÒ¾õµÃÄãÕâ¸ö½á¹û»¹ÊÇͦÓÐÒâ˼µÄ¡£ÇëÎÊͼÊÇÔõÑùµÃµ½µÄ£¿
frank_zhan,zy2zhan@gmail.com
3Â¥2012-07-24 18:39:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Illusionist

Òø³æ (ÕýʽдÊÖ)

¡ï ¡ï
franch: ½ð±Ò+2, ¹ÄÀø½»Á÷ 2012-07-25 17:56:20
ÒýÓûØÌû:
3Â¥: Originally posted by frank_zhan at 2012-07-24 18:39:34
²»¹ýÎÒ¾õµÃÄãÕâ¸ö½á¹û»¹ÊÇͦÓÐÒâ˼µÄ¡£ÇëÎÊͼÊÇÔõÑùµÃµ½µÄ£¿

Group-V impurities in SnO from first-principles calculations


J. B. Varley,
1 A. Janotti,
2 and C. G. Van de Walle2
1
Department of Physics, University of California, Santa Barbara, California 93106-9530, USA
2Materials Department, University of California, Santa Barbara, California 93106-5050, USA
Received 19 March 2010; revised manuscript received 2 June 2010; published 30 June 2010
²ÎÕÕÕâ¸ö×öµÄ
4Â¥2012-07-25 08:21:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Î人Àí¹¤£¬×Ü·Ö321£¬Ó¢Ò»Êý¶þ£¬ÇóÀÏʦÊÕÁô¡£ +11 nnnnnnn5 2026-03-25 11/550 2026-03-29 20:42 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ¿¼Ñе÷¼Á +7 СÀ¯ÐÂ±Ê 2026-03-29 7/350 2026-03-29 19:00 by ѧԱ8dgXkO
[¿¼ÑÐ] 297Çóµ÷¼Á +11 ÌïºéÓÐ 2026-03-26 11/550 2026-03-29 13:14 by peike
[¿¼ÑÐ] 356Çóµ÷¼Á +4 gysy?s?a 2026-03-28 4/200 2026-03-29 10:32 by ÌÆãå¶ù
[¿¼ÑÐ] Çóµ÷¼Á +7 ÕùÈ¡¾Åµã˯ 2026-03-28 8/400 2026-03-28 21:07 by ÕùÈ¡¾Åµã˯
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª±±µçÁ¦´óѧÄܶ¯×¨Ë¶£¬293£¬Çóµ÷¼Á +3 15537177284 2026-03-23 5/250 2026-03-28 16:11 by xxxsssccc
[¿¼ÑÐ] 283Çóµ÷¼Á +3 A child 2026-03-28 3/150 2026-03-28 15:41 by ms629
[¿¼ÑÐ] 312£¬ÉúÎïѧÇóµ÷¼Á +3 СÒëͬѧabc 2026-03-28 3/150 2026-03-28 15:32 by ÂäÉ˼
[¿¼ÑÐ] 304Çóµ÷¼Á +6 ÂüÊâ2266 2026-03-27 6/300 2026-03-28 14:10 by ÌÆãå¶ù
[¿¼ÑÐ] 086000µ÷¼Á +3 7901117076 2026-03-26 3/150 2026-03-27 21:34 by Jianing_Mi
[¿¼ÑÐ] 07»¯Ñ§280·ÖÇóµ÷¼Á +10 722865 2026-03-23 10/500 2026-03-27 15:51 by Plutoqq
[¿¼ÑÐ] 274Çóµ÷¼Á +17 ¹Ë¾ÅóÏҪǫÐé 2026-03-24 23/1150 2026-03-27 15:16 by caszguilin
[¿¼ÑÐ] ¿¼Ñл¯Ñ§308·ÖÇóµ÷¼Á +10 ÄãºÃÃ÷ÌìÄãºÃ 2026-03-23 12/600 2026-03-27 14:43 by shangxh
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ÇóÇóÁËÊÕÏÂÎÒ°É£ 2026-03-26 4/200 2026-03-27 10:37 by zhshch
[¿¼ÑÐ] 351Çóµ÷¼Á +4 Âó¿Ë°¢ÀÚ 2026-03-24 4/200 2026-03-27 00:32 by wxiongid
[¿¼ÑÐ] µ÷¼Á +4 èÖèÖyoyo 2026-03-26 4/200 2026-03-26 20:43 by fmesaito
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +3 ´Þwj 2026-03-26 3/150 2026-03-26 19:57 by nihaoar
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϺ½ 335·Ö | 0856²ÄÁÏ»¯¹¤ | GPA 4.07 | ÓпÆÑо­Àú +6 cccchenso 2026-03-23 6/300 2026-03-25 22:25 by 544594351
[¿¼ÑÐ] 290·Öµ÷¼ÁÇóÖú +3 ¼ªÏéÖ¹Ö¹³Â 2026-03-25 3/150 2026-03-25 19:58 by barlinike
[¿¼ÑÐ] ¿¼ÑÐÒ»Ö¾Ô¸ËÕÖÝ´óѧ³õʼ315£¨Ó¢Ò»£©Çóµ÷¼Á +3 sbdksD 2026-03-24 4/200 2026-03-25 18:16 by xcjcqu
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û