{"id":97,"date":"2012-06-20T15:43:52","date_gmt":"2012-06-20T21:43:52","guid":{"rendered":""},"modified":"2013-10-26T06:17:16","modified_gmt":"2013-10-25T21:17:16","slug":"%e9%85%b8%e7%b4%a0%e6%ac%a0%e6%90%8d%e3%81%ae%e3%81%82%e3%82%8b%e3%83%ab%e3%83%81%e3%83%ab%e5%9e%8btio2%e3%81%aestm%e5%83%8f-stm_tio2_110_ovac","status":"publish","type":"post","link":"https:\/\/www.cenav.org\/kdb\/?p=97","title":{"rendered":"\u9178\u7d20\u6b20\u640d\u306e\u3042\u308b\u30eb\u30c1\u30eb\u578bTiO2\u306eSTM\u50cf STM_TiO2_110_ovac"},"content":{"rendered":"

\u6982\u8981<\/h3>\n

\u300c\u30eb\u30c1\u30eb\u578bTiO2 (110)\u8868\u9762\u9178\u7d20\u6b20\u640d\u306e\u69cb\u9020\u6700\u9069\u5316\u300d<\/a>\u306b\u304a\u3044\u3066\u304a\u3053\u306a\u3063\u305f\u69cb\u9020\u6700\u9069\u5316\u306e\u7d50\u679c\u5f97\u3089\u308c\u305f\u5ea7\u6a19\u30c7\u30fc\u30bf\u3092\u5229\u7528\u3057\u3066\u3001STM\u50cf\u306e\u8a08\u7b97\u3092\u884c\u3046\u3002\u30d5\u30a7\u30eb\u30df\u30a8\u30cd\u30eb\u30ae\u30fc\u304b\u3089\u307f\u3066±1V\u306e\u30d0\u30a4\u30a2\u30b9\u96fb\u5727\u306b\u76f8\u5f53\u3059\u308bSTM\u50cf\u3092\u53ef\u8996\u5316\u3059\u308b\u3002\u305f\u3060\u3057\u3001\u300c\u30eb\u30c1\u30eb\u578bTiO2 (110)\u8868\u9762\u9178\u7d20\u6b20\u640d\u306e\u69cb\u9020\u6700\u9069\u5316\u300d<\/a>\u306e\u30b1\u30fc\u30b9\u3068\u6bd4\u8f03\u3057\u3066c<\/em>\u8ef8\u3092\u9577\u304f\u3057\u3001\u3055\u3089\u306b\u30ab\u30c3\u30c8\u30aa\u30d5\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u5927\u304d\u304f\u3059\u308b\u3053\u3068\u306b\u3088\u3063\u3066\u8cea\u306e\u9ad8\u3044STM\u50cf\u3092\u5f97\u308b\u3053\u3068\u3092\u76ee\u6307\u3059\u3002<\/p>\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\n\n\n\n\t<\/colgroup>\n\n\n\n\n\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<\/th>\n\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<\/th>\n\n\t\t\t\t1\u56de\u306e\u8a08\u7b97<\/td>\n<\/tr>\n
\n\t\t\t\t\u4e26\u5217\u6570<\/th>\n\n\t\t\t\t\u30d0\u30f3\u30c912\u4e26\u5217<\/td>\n<\/tr>\n
\n\t\t\t\t\u53c2\u7167\u8a08\u7b97\u6642\u9593<\/th>\n\n\t\t\t\t35907\u79d2<\/td>\n<\/tr>\n
\n\t\t\t\t\u7cfb\u306e\u7a2e\u985e<\/th>\n\n\t\t\t\t\u534a\u5c0e\u4f53\u8868\u9762<\/td>\n<\/tr>\n
\n\t\t\t\t\u5468\u671f\u6027<\/th>\n\n\t\t\t\t2\u6b21\u5143<\/td>\n<\/tr>\n
\n\t\t\t\t\u7d44\u6210<\/th>\n\n\t\t\t\tTi 32\u500b, O64\u500b<\/td>\n<\/tr>\n
\n\t\t\t\t\u683c\u5b50\u5b9a\u6570<\/th>\n\n\t\t\t\ta =11.8300055442 Å<\/td>\n<\/tr>\n
\n\t\t\t\tb =12.9892748152 Å<\/td>\n<\/tr>\n
\n\t\t\t\tc =20.00 <\/td>\n<\/tr>\n
\n\t\t\t\t\u30d6\u30e9\u30d9\u30fc\u683c\u5b50<\/th>\n\n\t\t\t\t\u76f4\u65b9<\/td>\n<\/tr>\n
\n\t\t\t\t\u64ec\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30d5\u30a1\u30a4\u30eb<\/th>\n\n\t\t\t\tTi_ggapbe_us_02.pp<\/td>\n<\/tr>\n
\n\t\t\t\tO_ggapbe_us_02.pp<\/td>\n<\/tr>\n
\n\t\t\t\t\u78c1\u6027<\/th>\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<\/th>\n\n\t\t\t\t65 Rydberg<\/td>\n<\/tr>\n
\n\t\t\t\tk\u70b9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0<\/th>\n\n\t\t\t\tΓ\u70b9\u306e\u307f<\/td>\n<\/tr>\n
\n\t\t\t\t\u6ce2\u52d5\u95a2\u6570\u30bd\u30eb\u30d0\u30fc<\/th>\n\n\t\t\t\tlm+msd → rmm3<\/td>\n<\/tr>\n
\n\t\t\t\t\u96fb\u8377\u5bc6\u5ea6\u6df7\u5408\u6cd5<\/th>\n\n\t\t\t\tpulay, amix=0.2<\/td>\n<\/tr>\n
\n\t\t\t\t\u53ce\u675f\u5224\u5b9a<\/th>\n\n\t\t\t\t1e-7 3\u56de<\/td>\n<\/tr>\n
\n\t\t\t\t\u305d\u306e\u307b\u304b\u306e\u8a2d\u5b9a<\/th>\n\n\t\t\t\t\u90e8\u5206\u96fb\u8377\u5bc6\u5ea6\u306e\u8a2d\u5b9a<\/td>\n<\/tr>\n
\n\t\t\t\t\u3000\u30d5\u30a7\u30eb\u30df\u6e96\u4f4d\u304b\u3089\u307f\u3066-1 eV\u304b\u30890 eV\u307e\u3067\u30680 eV\u304b\u30891eV\u307e\u3067\u306e\u90e8\u5206\u96fb\u8377\u5bc6\u5ea6\u3092\u51fa\u529b\u3059\u308b\u8a2d\u5b9a<\/td>\n<\/tr>\n
\n\t\t\t\t\u4f5c\u696d\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u30fc<\/th>\n\n\t\t\t\tstm\/TiO2_110_ovac<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

 <\/p>\n