{"id":166232,"date":"2019-01-30T06:30:36","date_gmt":"2019-01-29T22:30:36","guid":{"rendered":"\/\/m.iemloyee.com\/?p=166232"},"modified":"2019-01-29T15:06:54","modified_gmt":"2019-01-29T07:06:54","slug":"%e8%b4%b5%e5%b7%9e%e5%a4%a7%e5%ad%a6%e6%9c%b1%e7%ba%afrsc-adv-%ef%bc%9a%e9%80%9a%e8%bf%87%e4%b8%80%e7%bb%b4%e6%97%a0%e9%99%90%e5%8d%95%e5%8e%9f%e5%ad%90%e9%87%91%e7%ba%bf%e7%94%b5%e5%ad%90%e7%bb%93","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=166232","title":{"rendered":"\u8d35\u5dde\u5927\u5b66\u6731\u7eafRSC Adv.\uff1a\u901a\u8fc7\u4e00\u7ef4\u65e0\u9650\u5355\u539f\u5b50\u91d1\u7ebf\u7535\u5b50\u7ed3\u6784\u7684\u7406\u8bba\u7814\u7a76\u8ba4\u8bc6\u5176\u5bfc\u7535\u6027\u80fd"},"content":{"rendered":"
\u3010\u7814\u7a76\u80cc\u666f\u3011<\/strong><\/p>\n 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\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n 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investigation on the electronic structure of one dimensional infinite monatomic gold wire: insights into conducting properties<\/strong>\u201d\u53d1\u8868\u5728\u77e5\u540d\u671f\u520aRSC Adv.<\/strong>\u4e0a\uff0c\u8bba\u6587\u7b2c\u4e00\u5355\u4f4d\u4e3a\u8d35\u5dde\u5e08\u8303\u5b66\u9662\u3002<\/p>\n \u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n \u56fe\u4e00\uff1a\u4f18\u5316\u7a33\u5b9a\u7ed3\u6784<\/strong> \u56fe\u4e8c\uff1a\u6750\u6599\u8ba1\u7b97\u7684\u5e26\u7ed3\u6784\u548c\u6001\u5bc6\u5ea6<\/strong> \u56fe\u4e09\uff1a\u6750\u6599\u8ba1\u7b97\u7684\u6295\u5f71\u5bc6\u5ea6<\/strong> \u56fe\u56db\uff1a\u90e8\u5206\u7535\u8377\u5bc6\u5ea6<\/strong> \u3010\u5c0f\u7ed3\u3011<\/strong><\/p>\n \u4f5c\u8005\u57fa\u4e8e\u4e4b\u524d\u5bf9\u65b0\u6784\u9020\u7684\u5177\u6709\u4f18\u5f02\u5bfc\u7535\u6027\u7684\u4e00\u7ef4\u65e0\u9650\u5355\u539f\u5b50\u91d1\u7ebf\uff081D-IMGW\uff09\u7684\u7814\u7a76\uff0c\u8fdb\u884c\u4e86\u5e7f\u6cdb\u7684\u5bc6\u5ea6\u6cdb\u51fd\u8ba1\u7b97\uff0c\u4ee5\u8fdb\u4e00\u6b65\u7814\u7a76\u6dfb\u52a0\u4e00\u4e2a\u7535\u5b50\u540e\u76841D-IMGW\u7684\u7535\u5b50\u7279\u6027\uff08[1D-IMGW]–<\/sup>\uff09\uff0c\u8fd9\u80fd\u66f4\u6df1\u5165\u4e86\u89e31D-IMGW\u7684\u7535\u5b50\u4f20\u8f93\u673a\u5236\u3002[1D-IMGW]–<\/sup>\u7684\u4f18\u5316\u7ed3\u6784\u4ecd\u7136\u662f\u7ebf\u6027\u7684\uff0c\u7136\u800c\uff0c\u5176\u7535\u5b50\u80fd\u5e26\u7ed3\u6784\u663e\u793a\u51fa\u5bfc\u4f53\u7279\u6027\u3002\u6b64\u5916\uff0c\u8be5\u7406\u8bba\u5de5\u4f5c\u63d0\u4f9b\u4e86\u7814\u7a76\u4e00\u7ef4\u5355\u539f\u5b50Au\u94fe\u7684\u7535\u5b50\u4f20\u8f93\u673a\u5236\u7684\u65b9\u6cd5\uff0c\u5e76\u4e14\u8ba1\u7b97\u7684PDOS\u548c\u90e8\u5206\u7535\u8377\u5bc6\u5ea6\u8868\u660e1D-IMGW\u5177\u6709\u6781\u5f3a\u7684\u7535\u5bfc\u7387\uff0c\u5176\u4e2d\u7535\u5b50\u6cbf\u7740\u5782\u76f4\u4e8eCorrole\u73af\u7684\u5355\u539f\u5b50Au\u94fe\u4f20\u5bfc\uff0c\u5206\u522b\u7531Auc<\/sub>\u548cAui<\/sub>\u7684\u30165d\u3017_(z^2 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\n
\n [1D-IMGW]-\u7684\u7ed3\u6784\uff08e\uff09\u53ca\u5176\u57fa\u5143\u7ed3\u6784\uff08e1\uff09\u3002<\/p>\n
\n
\n \u901a\u8fc7PBE\u8ba1\u7b97\u5f97\u5230[1D-IMGW]–<\/sup>\u7684\uff08\u5de6\uff09\u5e26\u7ed3\u6784\u548c\uff08\u53f3\uff09\u6001\u5bc6\u5ea6\u3002<\/p>\n
\n
\n \u8ba1\u7b97\u5f97\u5230[1D-IMGW]–<\/sup>\u7684\u72b6\u6001\u6295\u5f71\u5bc6\u5ea6\uff08PDOS\uff09\uff08\u4e0a\uff09\u548c\u72b6\u6001\u7684\u603b\u5bc6\u5ea6\uff08\u4e0b\uff09\u3002<\/p>\n
\n
\n [1D-IMGW] -\u7684\u8d39\u7c73\u80fd\u7ea7\u7684\u90e8\u5206\u7535\u8377\u5bc6\u5ea6\uff08isovalue = 0.0003 au\uff09\u3002<\/p>\n