{"id":100,"date":"2012-06-20T16:35:57","date_gmt":"2012-06-20T22:35:57","guid":{"rendered":""},"modified":"2013-10-26T06:17:16","modified_gmt":"2013-10-25T21:17:16","slug":"ag%e3%81%aexps%e8%a7%a3%e6%9e%90-xps_ag","status":"publish","type":"post","link":"https:\/\/www.cenav.org\/kdb\/?p=100","title":{"rendered":"Ag\u306eXPS\u89e3\u6790 XPS_Ag"},"content":{"rendered":"<h3 id=\"kdb_body\">\u6982\u8981<\/h3>\n<p>Ag\u306eXPS\u306b\u3088\u308b\u8868\u9762\u30b3\u30a2\u30ec\u30d9\u30eb\u30b7\u30d5\u30c8\u3092\u3001(100), (110), (111)\u8868\u9762\u3067\u8a08\u7b97\u3059\u308b\u3002\u3042\u3089\u304b\u3058\u3081\u69cb\u9020\u6700\u9069\u5316\u3057\u305f\u5ea7\u6a19\u30c7\u30fc\u30bf\u3092\u4f7f\u7528\u3059\u308b\u3002\u307e\u305f\u30013<em>d<\/em>\u8ecc\u9053\u306b\u5185\u6bbb\u6b63\u5b54\u3092\u6709\u3059\u308b\u64ec\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306fCIAO\u3067\u3042\u3089\u304b\u3058\u3081\u4f5c\u6210\u3057\u305f\u3082\u306e\u3092\u5229\u7528\u3057\u305f\u3002<\/p>\n<h3 id=\"kdb_field_exe_env\">\u5b9f\u884c\u74b0\u5883<\/h3>\n<p>CPU: Intel Xeon X5450 3 GHz<\/p>\n<p>GPU:<\/p>\n<p>Memory:<\/p>\n<p>HDD:<\/p>\n<h3 id=\"kdb_field_description_simu_case\">\u8a73\u7d30\u8aac\u660e<\/h3>\n<table border=\"2\" cellpadding=\"0\" cellspacing=\"0\" width=\"668\">\n<colgroup>\n<col \/>\n<col \/>\n<col span=\"3\" \/>\n\t<\/colgroup>\n<tbody>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u9805\u76ee<\/th>\n<th colspan=\"4\" style=\"width: 479px;\">\n\t\t\t\t\u8aac\u660e<\/th>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u5229\u7528\u6a5f\u80fd<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\t\u5168\u30a8\u30cd\u30eb\u30ae\u30fc<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u8a08\u7b97\u30bf\u30a4\u30d7<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\t\u8907\u6570\u56de\u306e\u8a08\u7b97<\/td>\n<\/tr>\n<tr height=\"18\">\n<th height=\"55\" rowspan=\"3\" scope=\"row\" style=\"height: 55px; width: 189px;\">\n\t\t\t\t\u4e26\u5217\u6570<\/th>\n<th colspan=\"2\" style=\"width: 479px;\">\n\t\t\t\t(100)<\/th>\n<td colspan=\"2\" style=\"width: 479px;\">\n\t\t\t\tk\u70b96\u4e26\u5217<\/td>\n<\/tr>\n<tr height=\"18\">\n<th colspan=\"2\" scope=\"row\" style=\"width: 479px;\">\n\t\t\t\t(110)<\/th>\n<td colspan=\"2\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\t\u30d0\u30f3\u30c92\u4e26\u5217 k\u70b93\u4e26\u5217<\/td>\n<\/tr>\n<tr height=\"19\">\n<th colspan=\"2\" scope=\"row\" style=\"width: 479px;\">\n\t\t\t\t(111)<\/th>\n<td colspan=\"2\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\tk\u70b96\u4e26\u5217<\/td>\n<\/tr>\n<tr height=\"18\">\n<th height=\"55\" rowspan=\"3\" scope=\"row\" style=\"height: 55px; width: 189px;\">\n\t\t\t\t\u53c2\u7167\u8a08\u7b97\u6642\u9593<\/th>\n<th colspan=\"2\" style=\"width: 479px;\">\n\t\t\t\t(100)<\/th>\n<td colspan=\"2\" style=\"width: 479px;\">\n\t\t\t\t1\u70b9\u306b\u3064\u304d480\u79d2\u7a0b\u5ea6<\/td>\n<\/tr>\n<tr height=\"18\">\n<th colspan=\"2\" height=\"18\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\t(110)<\/th>\n<td colspan=\"2\" scope=\"row\" style=\"width: 479px;\">\n\t\t\t\t1\u70b9\u306b\u3064\u304d720\u79d2\u7a0b\u5ea6<\/td>\n<\/tr>\n<tr height=\"19\">\n<th colspan=\"2\" height=\"19\" scope=\"row\" style=\"height: 19px; width: 479px;\">\n\t\t\t\t(111)<\/th>\n<td colspan=\"2\" scope=\"row\" style=\"width: 479px;\">\n\t\t\t\t1\u70b9\u306b\u3064\u304d2,300\u79d2\u7a0b\u5ea6<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u7cfb\u306e\u7a2e\u985e<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\t\u91d1\u5c5e\u8868\u9762<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u5468\u671f\u6027<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\t2\u6b21\u5143<\/td>\n<\/tr>\n<tr height=\"18\">\n<th height=\"55\" rowspan=\"3\" scope=\"row\" style=\"height: 55px; width: 189px;\">\n\t\t\t\t\u7d44\u6210<\/th>\n<th colspan=\"2\" style=\"width: 479px;\">\n\t\t\t\t(100)<\/th>\n<td colspan=\"2\" style=\"width: 479px;\">\n\t\t\t\tAg 21\u500b, \u5185\u6bbb\u6b63\u5b54\u3092\u6709\u3059\u308bAg 1\u500b<\/td>\n<\/tr>\n<tr height=\"18\">\n<th colspan=\"2\" height=\"18\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\t(110)<\/th>\n<td colspan=\"2\" scope=\"row\" style=\"width: 479px;\">\n\t\t\t\tAg 21\u500b, \u5185\u6bbb\u6b63\u5b54\u3092\u6709\u3059\u308bAg 1\u500b<\/td>\n<\/tr>\n<tr height=\"19\">\n<th colspan=\"2\" height=\"19\" scope=\"row\" style=\"height: 19px; width: 479px;\">\n\t\t\t\t(111)<\/th>\n<td colspan=\"2\" scope=\"row\" style=\"width: 479px;\">\n\t\t\t\tAg 27\u500b, \u5185\u6bbb\u6b63\u5b54\u3092\u6709\u3059\u308bAg 1\u500b<\/td>\n<\/tr>\n<tr height=\"18\">\n<th height=\"181\" rowspan=\"9\" scope=\"row\" style=\"height: 181px; width: 189px;\">\n\t\t\t\t\u683c\u5b50\u5b9a\u6570<\/th>\n<th colspan=\"2\" rowspan=\"3\" style=\"width: 479px;\">\n\t\t\t\t(100)<\/th>\n<td colspan=\"2\" style=\"width: 479px;\">\n\t\t\t\ta = 4.166 &Aring;<\/td>\n<\/tr>\n<tr height=\"18\">\n<td colspan=\"2\" style=\"width: 479px;\">\n\t\t\t\tc = 31.62449393 &Aring;<\/td>\n<\/tr>\n<tr height=\"18\">\n<td colspan=\"4\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\t&nbsp;<\/td>\n<\/tr>\n<tr height=\"18\">\n<th colspan=\"2\" height=\"18\" rowspan=\"3\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\t(110)<\/th>\n<td colspan=\"2\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\ta=4.166 &Aring;<\/td>\n<\/tr>\n<tr height=\"18\">\n<td colspan=\"2\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\tb=5.8916137008 &Aring;<\/td>\n<\/tr>\n<tr height=\"18\">\n<td colspan=\"2\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\tc=25 &Aring;<\/td>\n<\/tr>\n<tr height=\"18\">\n<th colspan=\"2\" height=\"18\" rowspan=\"3\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\t(111)<\/th>\n<td colspan=\"2\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\ta= 5.7318075683 &Aring;<\/td>\n<\/tr>\n<tr height=\"18\">\n<td colspan=\"2\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\tc= 25 &Aring;<\/td>\n<\/tr>\n<tr height=\"18\">\n<td colspan=\"2\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\t&nbsp;<\/td>\n<\/tr>\n<tr height=\"18\">\n<th height=\"55\" rowspan=\"3\" scope=\"row\" style=\"height: 55px; width: 189px;\">\n\t\t\t\t\u30d6\u30e9\u30d9\u30fc\u683c\u5b50<\/th>\n<th colspan=\"2\" style=\"width: 479px;\">\n\t\t\t\t(100)<\/th>\n<td colspan=\"2\" style=\"width: 479px;\">\n\t\t\t\t\u6b63\u65b9<\/td>\n<\/tr>\n<tr height=\"18\">\n<th colspan=\"2\" height=\"18\" scope=\"row\" style=\"height: 18px; width: 479px;\">\n\t\t\t\t(110)<\/th>\n<td colspan=\"2\" scope=\"row\" style=\"width: 479px;\">\n\t\t\t\t\u76f4\u65b9<\/td>\n<\/tr>\n<tr height=\"19\">\n<th colspan=\"2\" height=\"19\" scope=\"row\" style=\"height: 19px; width: 479px;\">\n\t\t\t\t(111)<\/th>\n<td colspan=\"2\" scope=\"row\" style=\"width: 479px;\">\n\t\t\t\t\u516d\u65b9<\/td>\n<\/tr>\n<tr height=\"18\">\n<th height=\"37\" rowspan=\"2\" scope=\"row\" style=\"height: 37px; width: 189px;\">\n\t\t\t\t\u64ec\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30d5\u30a1\u30a4\u30eb<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\tAg_ggapbe_us_01.pp<\/td>\n<\/tr>\n<tr height=\"19\">\n<td colspan=\"4\" scope=\"row\" style=\"height: 19px; width: 479px;\">\n\t\t\t\tAg_ggapbe_us_with_core.gncpp2<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u78c1\u6027<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\t\u306a\u3057<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u30ab\u30c3\u30c8\u30aa\u30d5\u30a8\u30cd\u30eb\u30ae\u30fc<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\t25 Rydberg<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\tk\u70b9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\t\u3059\u3079\u3066\u306e\u9762\u65b9\u4f4d\u30676&times;6&times;1<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u6ce2\u52d5\u95a2\u6570\u30bd\u30eb\u30d0\u30fc<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\tmdkosugi &rarr; rmm3<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u96fb\u8377\u5bc6\u5ea6\u6df7\u5408\u6cd5<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\tpulay, amix=0.4<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u53ce\u675f\u5224\u5b9a<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\t1e-8 3\u56de<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u305d\u306e\u307b\u304b\u306e\u8a2d\u5b9a<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\t\u7279\u306b\u306a\u3057<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u4f5c\u696d\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u30fc<\/th>\n<td colspan=\"4\" style=\"width:479px;\">\n\t\t\t\tXPS\/Rh \u4ee5\u4e0b\u306e\u30b5\u30d6\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u30fc<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p>&nbsp;<\/p>\n<ul>\n<li>\n\t\t<strong>\u8a08\u7b97\u7d50\u679c<\/strong><\/li>\n<\/ul>\n<p>(100)\u9762\u3001(110)\u9762\u3001(111)\u9762\u306e\u8868\u9762\u30b3\u30a2\u30ec\u30d9\u30eb\u30b7\u30d5\u30c8\u3068\u8868\u9762\u304b\u3089\u306e\u8ddd\u96e2\u306e\u95a2\u4fc2\u306f\u4e0b\u56f3\u306e\u901a\u308a\u5f97\u3089\u308c\u305f<\/p>\n<p class=\"rtecenter\"><img alt=\"\" src=\"\/kdb\/out\/i100_1.png\" \/><\/p>\n<p>\u3053\u306e\u7d50\u679c\u3092\u307e\u3068\u3081\u308b\u3068\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u306a\u308b\u3002\u5358\u4f4d\u306feV<\/p>\n<table border=\"2\" cellpadding=\"0\" cellspacing=\"0\" width=\"596\">\n<colgroup>\n<col \/>\n<col \/>\n<col span=\"2\" \/>\n\t<\/colgroup>\n<thead>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u3000<\/th>\n<th scope=\"col\" style=\"width: 263px;\">\n\t\t\t\t\u5b9f\u9a13<\/th>\n<th scope=\"col\" style=\"width: 72px;\">\n\t\t\t\tFLAPW<\/th>\n<th scope=\"col\" style=\"width: 72px;\">\n\t\t\t\tPHASE<\/th>\n<\/tr>\n<\/thead>\n<tbody>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t(100)<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t-<\/td>\n<td style=\"width:72px;\">\n\t\t\t\t-<\/td>\n<td style=\"width:72px;\">\n\t\t\t\t-0.16<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t(110)<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t-<\/td>\n<td style=\"width:72px;\">\n\t\t\t\t-0.1<\/td>\n<td style=\"width:72px;\">\n\t\t\t\t-0.05<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t(111)<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t&lt;0.1<\/td>\n<td style=\"width:72px;\">\n\t\t\t\t-0.14<\/td>\n<td style=\"width:72px;\">\n\t\t\t\t-0.22<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p>&nbsp;<\/p>\n<h3 id=\"kdb_field_reference_info\">\u53c2\u8003\u6587\u732e<\/h3>\n<p>Phys Rev B <strong>50<\/strong> 17525 (1994)<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u6982\u8981 Ag\u306eXPS\u306b\u3088\u308b\u8868\u9762\u30b3\u30a2\u30ec\u30d9\u30eb\u30b7\u30d5\u30c8\u3092\u3001(100), (110), (111)\u8868\u9762\u3067\u8a08\u7b97\u3059\u308b\u3002\u3042\u3089\u304b\u3058\u3081\u69cb\u9020\u6700\u9069\u5316\u3057\u305f\u5ea7\u6a19\u30c7\u30fc\u30bf\u3092\u4f7f\u7528\u3059\u308b\u3002\u307e\u305f\u30013d\u8ecc\u9053\u306b\u5185\u6bbb\u6b63\u5b54\u3092\u6709\u3059\u308b\u64ec\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306fCIAO\u3067\u3042\u3089\u304b\u3058\u3081\u4f5c\u6210 [<a title=\"\u4f1a\u54e1\u767b\u9332\u304c\u5fc5\u8981\u3067\u3059\" href=\"https:\/\/www.cenav.org\/kdb\/?p=100\">\u5168\u6587\u3092\u8aad\u3080<\/a>]<\/p>\n","protected":false},"author":50,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[106],"tags":[],"_links":{"self":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts\/100"}],"collection":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/users\/50"}],"replies":[{"embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=100"}],"version-history":[{"count":1,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts\/100\/revisions"}],"predecessor-version":[{"id":261,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts\/100\/revisions\/261"}],"wp:attachment":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=100"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=100"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=100"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}