{"id":101,"date":"2012-06-20T16:52:55","date_gmt":"2012-06-20T22:52:55","guid":{"rendered":""},"modified":"2013-10-26T06:17:16","modified_gmt":"2013-10-25T21:17:16","slug":"%e9%81%b7%e7%a7%bb%e9%87%91%e5%b1%9e%e3%83%80%e3%82%a4%e3%83%9c%e3%83%a9%e3%82%a4%e3%83%89%e3%81%aexps%e8%a7%a3%e6%9e%90-xps_tm_diobride","status":"publish","type":"post","link":"https:\/\/www.cenav.org\/kdb\/?p=101","title":{"rendered":"\u9077\u79fb\u91d1\u5c5e\u30c0\u30a4\u30dc\u30e9\u30a4\u30c9\u306eXPS\u89e3\u6790 XPS_TM_diobride"},"content":{"rendered":"

\u6982\u8981<\/h3>\n

\u9077\u79fb\u91d1\u5c5e\u30c0\u30a4\u30dc\u30e9\u30a4\u30c9\u306e(0001)\u9762XPS\u30b3\u30a2\u30ec\u30d9\u30eb\u30b7\u30d5\u30c8\u306e\u89e3\u6790\u3092\u5b9f\u65bd\u3057\u305f\u3002\u5177\u4f53\u7684\u306b\u5bfe\u8c61\u3068\u3059\u308b\u7cfb\u306fNbB2<\/sub>\u304a\u3088\u3073ZrB2<\/sub>\u3067\u3042\u308b\u3002NbB2<\/sub>\u306e\u539f\u5b50\u914d\u7f6e\u306f\u4e0b\u56f3\u306e\u3088\u3046\u306a\u3082\u306e\u3067\u3042\u308b<\/p>\n

\"\"<\/p>\n

ZrB2<\/sub>\u3082\u307b\u307c\u540c\u3058\u3067\u3042\u308b\u304c\u3001B\u7d42\u7aef\u3067\u306f\u306a\u304f\u9077\u79fb\u91d1\u5c5e\u7d42\u7aef\u3067\u3042\u308b\u70b9\u306b\u9055\u3044\u304c\u3042\u308b\u3002\u5ea7\u6a19\u5024\u306f\u3042\u3089\u304b\u3058\u3081\u69cb\u9020\u6700\u9069\u5316\u3057\u305f\u3082\u306e\u3092\u5229\u7528\u3059\u308b\u3002XPS\u306b\u3088\u3063\u3066\u653e\u51fa\u3055\u308c\u308b\u96fb\u5b50\u306fB\u306e1s\u3067\u3042\u308b\u304c\u3001\u3053\u306e\u3088\u3046\u306a\u72b6\u6cc1\u306b\u5bfe\u5fdc\u3059\u308b\u64ec\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u3042\u3089\u304b\u3058\u3081\u4f5c\u6210\u3057\u3066\u304a\u3044\u305f\u3082\u306e\u3092\u5229\u7528\u3059\u308b\u3002<\/p>\n

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

CPU: Intel Xeon X5450 3 GHz<\/p>\n

GPU:<\/p>\n

Memory:<\/p>\n

HDD:<\/p>\n

\u8a73\u7d30\u8aac\u660e<\/h3>\n\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\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\u30bf\u30a4\u30c8\u30eb<\/th>\n\n\t\t\t\tXPS_TM_diobride<\/td>\n<\/tr>\n
\n\t\t\t\t\u5229\u7528\u6a5f\u80fd<\/th>\n\n\t\t\t\t\u5168\u30a8\u30cd\u30eb\u30ae\u30fc<\/td>\n<\/tr>\n
\n\t\t\t\t\u8a08\u7b97\u30bf\u30a4\u30d7<\/th>\n\n\t\t\t\t\u8907\u6570\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\u30c93\u4e26\u5217 k\u70b92\u4e26\u5217<\/td>\n<\/tr>\n
\n\t\t\t\t\u53c2\u7167\u8a08\u7b97\u6642\u9593<\/th>\n\n\t\t\t\t400\u79d2\u7a0b\u5ea6<\/td>\n<\/tr>\n
\n\t\t\t\t\u7cfb\u306e\u7a2e\u985e<\/th>\n\n\t\t\t\t\u91d1\u5c5e\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\tNbB2<\/sub><\/th>\n\n\t\t\t\tB 21\u500b Nb10\u500b \u5185\u6bbb\u6b63\u5b54\u3092\u6709\u3059\u308bB 1\u500b<\/td>\n<\/tr>\n
\n\t\t\t\tZrB2<\/sub><\/th>\n\n\t\t\t\tB 19\u500b Zr 11\u500b \u5185\u6bbb\u6b63\u5b54\u3092\u6709\u3059\u308bB 1\u500b<\/td>\n<\/tr>\n
\n\t\t\t\t\u683c\u5b50\u5b9a\u6570<\/th>\n\n\t\t\t\tNbB2<\/sub><\/th>\n\n\t\t\t\ta = 3.115 Å<\/td>\n<\/tr>\n
\n\t\t\t\tc = 43 Å<\/td>\n<\/tr>\n
\n\t\t\t\t <\/td>\n<\/tr>\n
\n\t\t\t\tZrB2<\/sub><\/th>\n\n\t\t\t\ta = 3.1694 Å<\/td>\n<\/tr>\n
\n\t\t\t\tc = 46 Å<\/td>\n<\/tr>\n
\n\t\t\t\t <\/td>\n<\/tr>\n
\n\t\t\t\t\u30d6\u30e9\u30d9\u30fc\u683c\u5b50<\/th>\n\n\t\t\t\t\u516d\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\tB_ggapbe_us_01.pp<\/td>\n<\/tr>\n
\n\t\t\t\tB_ggapbe_nc_01_core.gncpp2<\/td>\n<\/tr>\n
\n\t\t\t\tZr_ggapbe_us_02.pp<\/td>\n<\/tr>\n
\n\t\t\t\tNb_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\t25 Rydberg<\/td>\n<\/tr>\n
\n\t\t\t\tk\u70b9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0<\/th>\n\n\t\t\t\t6×6×1<\/td>\n<\/tr>\n
\n\t\t\t\t\u6ce2\u52d5\u95a2\u6570\u30bd\u30eb\u30d0\u30fc<\/th>\n\n\t\t\t\tmdkosugi → 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=0.4<\/td>\n<\/tr>\n
\n\t\t\t\t\u53ce\u675f\u5224\u5b9a<\/th>\n\n\t\t\t\t1e-8 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\u7279\u306b\u306a\u3057<\/td>\n<\/tr>\n
\n\t\t\t\t\u4f5c\u696d\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u30fc<\/th>\n\n\t\t\t\tXPS\/TMdiboride \u4ee5\u4e0b\u306e\u30b5\u30d6\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u30fc<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

 <\/p>\n