{"id":66,"date":"2012-05-31T10:58:17","date_gmt":"2012-05-31T16:58:17","guid":{"rendered":""},"modified":"2013-10-26T06:17:35","modified_gmt":"2013-10-25T21:17:35","slug":"p%e5%9e%8b%e5%8d%8a%e5%b0%8e%e4%bd%93%e3%81%ae%e7%8a%b6%e6%85%8b%e5%af%86%e5%ba%a6%e3%81%a8%e9%9b%bb%e8%8d%b7%e5%af%86%e5%ba%a6-aldos_si_aldope","status":"publish","type":"post","link":"https:\/\/www.cenav.org\/kdb\/?p=66","title":{"rendered":"p\u578b\u534a\u5c0e\u4f53\u306e\u72b6\u614b\u5bc6\u5ea6\u3068\u96fb\u8377\u5bc6\u5ea6 ALDOS_Si_Aldope"},"content":{"rendered":"

\u6982\u8981<\/h3>\n

\u534a\u5c0e\u4f53\u30c9\u30fc\u30d4\u30f3\u30b0\u306e\u5f71\u97ff\u3092\u89e3\u6790\u3059\u308b\u4f8b\u3068\u3057\u3066\u3001Si\u7d50\u6676\u306bAl\u3092\u30c9\u30fc\u30d7\u3057\u305f\u7cfb\u306e\u72b6\u614b\u5bc6\u5ea6\u306e\u8a08\u7b97\u3092\u884c\u3046\u3002\u305f\u3060\u3057\u3001\u672c\u89e3\u6790\u3067\u306f\u69cb\u9020\u6700\u9069\u5316\u306f\u884c\u308f\u306a\u3044\u3002<\/p>\n

 <\/p>\n

\u534a\u5c0e\u4f53\u30c9\u30fc\u30d4\u30f3\u30b0\u306e\u5f71\u97ff\u3092\u89e3\u6790\u3059\u308b\u4f8b\u3068\u3057\u3066\u3001Si\u7d50\u6676\u306bAl\u3092\u30c9\u30fc\u30d7\u3057\u305f\u7cfb\u306e\u72b6\u614b\u5bc6\u5ea6\u306e\u8a08\u7b97\u3092\u884c\u3046\u3002\u305f\u3060\u3057\u3001\u672c\u89e3\u6790\u3067\u306f\u69cb\u9020\u6700\u9069\u5316\u306f\u884c\u308f\u306a\u3044\u3002\u63a1\u7528\u3059\u308b\u539f\u5b50\u914d\u7f6e\u306f\u3001\u30b7\u30ea\u30b3\u30f3\u539f\u5b50\u306e\u30d6\u30e9\u30d9\u30fc\u683c\u5b50\u304b\u30893×3×3\u306e\u30b9\u30fc\u30d1\u30fc\u30bb\u30eb\u3092\u4f5c\u6210\u3057\u3001\u539f\u5b501\u3064\u3092Al\u3067\u7f6e\u63db\u3057\u305f\u4e0b\u56f3\u306e\u3088\u3046\u306a\u3082\u306e\u3067\u3042\u308b\u3002<\/p>\n

\"\"<\/p>\n

 <\/p>\n

 <\/p>\n

\u8a08\u7b97\u6761\u4ef6<\/h3>\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n\t\t\t\t\u9805\u76ee<\/th>\n\n\t\t\t\t\u8aac\u660e<\/th>\n<\/tr>\n<\/thead>\n
\n\t\t\t\t\u5229\u7528\u6a5f\u80fd<\/td>\n\n\t\t\t\t\u72b6\u614b\u5bc6\u5ea6
\n\t\t\t\t\u5c40\u6240\u72b6\u614b\u5bc6\u5ea6
\n\t\t\t\t\u90e8\u5206\u96fb\u8377\u5bc6\u5ea6<\/td>\n<\/tr>\n
\n\t\t\t\t\u8a08\u7b97\u30bf\u30a4\u30d7<\/td>\n\n\t\t\t\t1\u56de\u8a08\u7b97<\/td>\n<\/tr>\n
\n\t\t\t\t\u4e26\u5217\u6570<\/td>\n\n\t\t\t\tk<\/strong>\u70b99\u4e26\u5217<\/td>\n<\/tr>\n
\n\t\t\t\t\u7cfb\u306e\u7a2e\u985e<\/td>\n\n\t\t\t\t\u534a\u5c0e\u4f53<\/td>\n<\/tr>\n
\n\t\t\t\t\u5468\u671f\u6027<\/td>\n\n\t\t\t\t3\u6b21\u5143<\/td>\n<\/tr>\n
\n\t\t\t\t\u7d44\u6210<\/td>\n\n\t\t\t\tSi 215\u500b, Al 1\u500b<\/td>\n<\/tr>\n
\n\t\t\t\t\u683c\u5b50\u5b9a\u6570<\/td>\n\n\t\t\t\ta<\/em>= 16.2927 Å<\/td>\n<\/tr>\n
\n\t\t\t\t\u30d6\u30e9\u30d9\u30fc\u683c\u5b50<\/td>\n\n\t\t\t\t\u7acb\u65b9<\/td>\n<\/tr>\n
\n\t\t\t\t\u64ec\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30d5\u30a1\u30a4\u30eb<\/td>\n\n\t\t\t\tSi_ggapbe_nc_01.pp
\n\t\t\t\tAl_ggapbe_nc_01.pp<\/td>\n<\/tr>\n
\n\t\t\t\t\u78c1\u6027<\/td>\n\n\t\t\t\t\u306a\u3057<\/td>\n<\/tr>\n
\n\t\t\t\t\u30ab\u30c3\u30c8\u30aa\u30d5\u30a8\u30cd\u30eb\u30ae\u30fc<\/td>\n\n\t\t\t\t9 Rydberg<\/td>\n<\/tr>\n
\n\t\t\t\tk<\/strong>\u70b9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0<\/td>\n\n\t\t\t\t8×8×8<\/td>\n<\/tr>\n
\n\t\t\t\t\u6ce2\u52d5\u95a2\u6570\u30bd\u30eb\u30d0\u30fc<\/td>\n\n\t\t\t\tlm+msd → rmm3<\/td>\n<\/tr>\n
\n\t\t\t\t\u96fb\u8377\u5bc6\u5ea6\u6df7\u5408\u6cd5<\/td>\n\n\t\t\t\tpulay, amix=0.4<\/td>\n<\/tr>\n
\n\t\t\t\t\u53ce\u675f\u5224\u5b9a<\/td>\n\n\t\t\t\t1e-8 2\u56de<\/td>\n<\/tr>\n
\n\t\t\t\t\u305d\u306e\u307b\u304b\u306e\u8a2d\u5b9a<\/td>\n\n\t\t\t\t\u72b6\u614b\u5bc6\u5ea6\u8a08\u7b97\u6cd5\uff1a\u56db\u9762\u4f53\u6cd5
\n\t\t\t\t\u5c40\u6240\u72b6\u614b\u5bc6\u5ea6\uff1a\u539f\u5b50\u5206\u5272\u5c40\u6240\u72b6\u614b\u5bc6\u5ea6
\n\t\t\t\t\u90e8\u5206\u96fb\u8377\u5bc6\u5ea6\uff1a\u30d5\u30a7\u30eb\u30df\u6e96\u4f4d\u306e±0.1 eV\u306e\u90e8\u5206\u96fb\u8377\u5bc6\u5ea6\u3092\u51fa\u529b<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

 <\/p>\n

\u5b9f\u884c\u74b0\u5883<\/h3>\n

CPU:\u3000Intel Xeon X5660 2.80GHz<\/p>\n

GPU:<\/p>\n

Memory:<\/p>\n

HDD:<\/p>\n

\u8a73\u7d30\u8aac\u660e<\/h3>\n