{"id":64276,"date":"2017-02-10T06:30:38","date_gmt":"2017-02-09T22:30:38","guid":{"rendered":"\/\/m.iemloyee.com\/?p=64276"},"modified":"2017-02-09T10:52:28","modified_gmt":"2017-02-09T02:52:28","slug":"nature%e9%87%8d%e7%a3%85%ef%bc%9a%e5%9c%a8%e5%8d%95%e5%8e%9f%e5%ad%90%e6%b0%b4%e5%b9%b3%e4%b8%8a%e8%a7%a3%e5%af%86%e5%8c%96%e5%ad%a6%e6%9c%89%e5%ba%8f%e6%97%a0%e5%ba%8f%e6%80%81%e5%90%8c%e6%9d%90","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=64276","title":{"rendered":"Nature\u91cd\u78c5\uff1a\u5728\u5355\u539f\u5b50\u6c34\u5e73\u4e0a\u89e3\u5bc6\u5316\u5b66\u6709\u5e8f\/\u65e0\u5e8f\u6001\u540c\u6750\u6599\u6027\u8d28\u7684\u5173\u7cfb"},"content":{"rendered":"
\u3010\u5f15\u8a00\u3011<\/strong><\/span><\/p>\n \u5b8c\u7f8e\u7684\u6676\u4f53\u5728\u81ea\u7136\u754c\u662f\u4e0d\u5b58\u5728\u7684\u3002\u73b0\u5b9e\u4e2d\u7684\u6750\u6599\u5f80\u5f80\u5b58\u5728\u7f3a\u9677\uff0c\u548c\u5316\u5b66\u6709\u5e8f\/\u65e0\u5e8f\u6001\uff0c\u4f8b\u5982\u6676\u754c\uff0c\u4f4d\u9519\uff0c\u754c\u9762\uff0c\u8868\u9762\u91cd\u6784\u4ee5\u53ca\u70b9\u7f3a\u9677\u3002\u8fd9\u4e9b\u7f3a\u9677\u4e25\u91cd\u5f71\u54cd\u7740\u6750\u6599\u7684\u6027\u8d28\u548c\u529f\u80fd\u3002\u5c3d\u7ba1\u6750\u6599\u7684\u5b9a\u91cf\u8868\u5f81\u65b9\u6cd5\u88ab\u5feb\u901f\u5efa\u7acb\uff0c\u4f46\u7cbe\u786e\u5904\u7406\u6709\u5e8f\/\u65e0\u5e8f\u6392\u5217\u7684\u4e09\u7ef4\uff083D\uff09\u539f\u5b50\u548c\u6676\u4f53\u7f3a\u9677\u5bf9\u6750\u6599\u6027\u8d28\u7684\u5f71\u54cd\u4ecd\u662f\u4e00\u5927\u6311\u6218\u3002\u4e0e\u6b64\u540c\u65f6\uff0c\u91cf\u5b50\u529b\u5b66\u8ba1\u7b97\u65b9\u6cd5\uff0c\u5982\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u5df2\u7ecf\u4ece\u5f00\u59cb\u7684\u7406\u60f3\u5757\u6750\u6a21\u578b\u5904\u7406\u7cfb\u7edf\u53d1\u5c55\u4e3a\u4e86\u5177\u6709\u63ba\u6742\u3001\u4f4d\u9519\u3001\u6676\u754c\u548c\u754c\u9762\u7684\u771f\u5b9e\u6750\u6599\u6a21\u578b\u5904\u7406\u7cfb\u7edf\uff0c\u4f46\u662f\u8fd9\u4e9b\u8ba1\u7b97\u65b9\u6cd5\u91cd\u5ea6\u4f9d\u8d56\u5e73\u5747\u539f\u5b50\u6a21\u578b\u6676\u4f53\u5b66\u3002\u4e3a\u4e86\u63d0\u9ad8\u7b2c\u4e00\u539f\u7406\u8ba1\u7b97\u7684\u9884\u6d4b\u80fd\u529b\uff0c\u6709\u5fc5\u8981\u5728\u4e00\u822c\u6676\u4f53\u5b66\u6d4b\u91cf\u7684\u771f\u5b9e\u7cfb\u7edf\u4e4b\u5916\u4f7f\u7528\u539f\u5b50\u5750\u6807\u3002<\/p>\n \u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/span><\/p>\n \u52a0\u5229\u798f\u5c3c\u4e9a\u5927\u5b66\u7eb3\u7c73\u7cfb\u7edf\u7814\u7a76\u6240\u7684<\/strong>Jianwei Miao<\/strong>\u6559\u6388\uff08\u901a\u8baf\u4f5c\u8005\uff09<\/strong>\u56e2\u961f\u8fd1\u65e5\u786e\u5b9a\u4e86\u4e00\u4e2a\u75316569\u4e2a\u94c1\u539f\u5b50\u548c16627\u4e2a\u94c2\u539f\u5b50\u7ec4\u6210\u7684\u94c1-\u94c2\u7eb3\u7c73\u9897\u7c92\u5404\u4e2a\u539f\u5b50\u7684\u4e09\u7ef4\u5750\u6807\uff0c\u5e76\u4e14\u5728\u539f\u5b50\u6c34\u5e73\u4e0a\u7cbe\u786e\u6d4b\u91cf\u4e86\u5b83\u7684\u5316\u5b66\u6709\u5e8f\/\u65e0\u5e8f\u6001\u548c\u6676\u4f53\u7f3a\u9677\u5bf9\u6750\u6599\u6027\u8d28\u7684\u5f71\u54cd\u3002\u524d\u6240\u672a\u6709\u5730\u662f\uff0c\u8be5\u56e2\u961f\u8fd8\u8fa8\u522b\u51fa\u4e86\u6750\u6599\u4e30\u5bcc\u7684\u4e09\u7ef4\u7ed3\u6784\u7ec6\u8282\uff0c\u5305\u62ec\u5176\u4e2d\u7684\u539f\u5b50\u6210\u5206\u3001\u751f\u957f\u6676\u754c\u3001\u53cd\u76f8\u6676\u754c\u3001\u53cd\u4f4d\u70b9\u7f3a\u9677\u548c\u4ea4\u6362\u7f3a\u9677\u3002\u8be5\u56e2\u961f\u7814\u7a76\u8868\u660e\uff0c\u901a\u8fc7\u76f4\u63a5\u8f93\u5165DFT\u8ba1\u7b97\u4e2d\u6750\u6599\u7684\u6027\u8d28\uff08\u5982\u539f\u5b50\u81ea\u65cb\u3001\u8f68\u9053\u78c1\u77e9\u4ee5\u53ca\u5c40\u90e8\u78c1\u6676\u5404\u5411\u5f02\u6027\uff09\u53ef\u4ee5\u5b9e\u73b0\u572822\u76ae\u79d2\u7cbe\u5ea6\u4e0b\u6d4b\u5b9a\u6750\u6599\u4e2d\u7684\u539f\u5b50\u5750\u6807\u548c\u5316\u5b66\u6210\u5206\u3002<\/p>\n \u8be5\u9879\u5de5\u4f5c\u7ed3\u5408\u4e86\u63ba\u6742\u6676\u4f533D\u539f\u5b50\u7ed3\u6784\u6d4b\u5b9a\u548cDFT\u8ba1\u7b97\u4e24\u79cd\u7814\u7a76\u65b9\u6cd5\uff0c\u88ab\u8ba4\u4e3a\u662f\u63d0\u9ad8\u4eba\u4eec\u5bf9\u7ed3\u6784\u2014\u2014\u6027\u8d28\u76f8\u4e92\u5173\u7cfb\u6c34\u5e73\u7684\u4e00\u9879\u91cd\u5927\u7814\u7a76\u6210\u679c\u3002<\/p>\n \u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/span><\/p>\n \u56fe<\/strong>1 <\/strong>\u786e\u5b9a\u7684<\/strong>3D<\/strong>\u539f\u5b50\u5750\u6807\u3001\u5316\u5b66\u6210\u5206\u548c<\/strong>FePt<\/strong><\/p>\n a. \u5404\u4e2a\u539f\u5b50\u5728\u4e09\u7ef4\u7a7a\u95f4\u7684\u76f8\u5bf9\u4f4d\u7f6e\uff0c\u5176\u4e2d\u7ea2\u8272\u4e3aFe\u539f\u5b50\uff0c\u84dd\u8272\u4e3aPt\u539f\u5b50\uff1b<\/p>\n b. \u663e\u793a\u4e86\u8be5\u7eb3\u7c73\u9897\u7c92\u7531\u4e24\u4e2a\u5927L12<\/sub>\u6761\u7eb9\u3001\u4e09\u4e2a\u5c0fL12<\/sub>\u6761\u7eb9\u3001\u4e09\u4e2a\u5c0fL10<\/sub>\u6761\u7eb9\u3001\u548c\u4e00\u4e2a\u5bccPtA1\u6761\u7eb9\u7ec4\u6210\uff1b<\/p>\n c. \u6cbf\u7740[100]\u3001[010]\u548c[001]\u4e09\u4e2a\u65b9\u5411\u83b7\u5f97\u76843D\u539f\u5b50\u6a21\u578b\u56fe\uff0c\uff0c\u5176\u4e2d\u6570\u6761\u51fa\u73b0\u57282D\u56fe\u7684L10<\/sub>\u6761\u7eb9\u662f\u4e0d\u771f\u5b9e\u7684\u7ed3\u6784\u4fe1\u606f\u3002\u989c\u8272\u6761\u8868\u793a\u6709\u5e8f\u5316\u7a0b\u5ea6\uff0c\u4ece\u7eaf\u7cb9\u7684L12<\/sub>\/L10<\/sub>\u5230\u5316\u5b66\u65e0\u5e8f\u7684\u9762\u5fc3\u7acb\u65b9\u5806\u79ef\uff08fcc\uff09\u3002<\/p>\n \u6ce8\uff0c\u5176\u4e2d\u6807\u5c3a\u4e3a<\/em>2 nm<\/em>\u3002<\/p>\n \u56fe<\/strong>2 <\/strong>\u6676\u754c\u4ee5\u53ca\u5316\u5b66\u6709\u5e8f<\/strong>\/<\/strong>\u65e0\u5e8f\u6001\u7684<\/strong>3D<\/strong>\u8bc6\u522b<\/strong><\/p>\n a. FePt\u7eb3\u7c73\u9897\u7c92\u7684\u539f\u5b50\u5750\u6807\u548c\u5316\u5b66\u6210\u5206\u5207\u5272\u6210fcc\u6676\u80de\u539a\u5ea6\u7684\u7247\u5c42\uff0c\u5e76\u5c06\u6676\u754c\u7528\u9ed1\u7ebf\u6807\u5fd7\u51fa\u6765\uff1b<\/p>\n b-e. \u5b9e\u9a8c\u7684\u56db\u4e2a\u4ee3\u8868\u6027\u7684\u5207\u53e3\u539f\u5b50\u6a21\u578b\uff0c\u5176\u4e2d\uff0c\uff08b\uff09\u8868\u793a\u9897\u7c92\u4e2d\u6700\u5177\u5316\u5b66\u6709\u5e8f\u7ed3\u6784\u7684L12<\/sub>\u533a\u57df\uff1b\uff08c\uff09\u8868\u793a\u4e24\u4e2aL12<\/sub>\u4e4b\u95f4\u7684\u6676\u754c\uff1b\uff08d\uff09\u8868\u793a\u6700\u5927\u7684L10<\/sub>\u6761\u7eb9\uff1b\uff08e\uff09\u5728\u5bcc\u542bPt\u7684A1\u6761\u7eb9\u9897\u7c92\u4e2d\u6700\u5177\u5316\u5b66\u65e0\u5e8f\u6001\u7684\u533a\u57df\u3002<\/p>\n \u56fe<\/strong>3 <\/strong>\u5bf9\u53cd\u4f4d\u70b9\u548c\u6362\u4f4d\u7f3a\u9677\u7684\u89c2\u6d4b\uff0c\u548c\u5bf9\u5316\u5b66\u6709\u5e8f<\/strong>\/<\/strong>\u65e0\u5e8f\u53ca\u53cd\u4f4d\u5bc6\u5ea6\u7684\u9759\u6001\u5206\u6790<\/strong><\/p>\n a-c. \u4f7f\u7528\u539f\u5b50\u7684\u7a7a\u95f4\u4f4d\u7f6e\u5bf93D\u91cd\u6784\u5f3a\u5ea6\u4fe1\u606f\uff08\u7528\u5e95\u90e8\u989c\u8272\u6df1\u5ea6\u8868\u793a\uff09\u8986\u76d6\u7684\u65b9\u5f0f\u6765\u8bf4\u660e\u53cd\u4f4d\u70b9\u7f3a\u9677\u4fe1\u606f\uff08\u7bad\u5934\u8868\u793a\uff09\uff1a\uff08a\uff09\u8868\u793a\u4e00\u4e2aPt\u539f\u5b50\u5360\u636e\u4e86Fe\u539f\u5b50\u4f4d\u7f6e\uff1b\uff08b\uff09\u8868\u793a\u4e00\u4e2aFe\u539f\u5b50\u5360\u636e\u4e86Pt\u539f\u5b50\u4f4d\u7f6e\uff1b\uff08c\uff09\u8868\u793a\u6700\u8fd1\u90bb\u7684Fe\u548cPt\u539f\u5b50\u76f8\u4e92\u8c03\u6362\uff08\u5373\uff0c\u6362\u4f4d\u7f3a\u9677\uff09\uff1b<\/p>\n d. \u7406\u60f3L12<\/sub>\u7684FePt3<\/sub>\u6676\u76f8\u76843D\u539f\u5b50\u7ed3\u6784\uff1b<\/p>\n e-f. \u8868\u793a\u5bf9\u4e8e\u5927L12<\/sub>\u6761\u7eb9\u2014\u2014\u4f5c\u4e3a\u4e00\u4e2a\u8861\u91cf\u6761\u7eb9\u957f\u5ea6\u91cf\uff08\u6676\u80de\u53c2\u6570\u4e3aa=3.875 \u00c5\uff09\uff08e\u63d2\u56fe\uff09\u6765\u8bf4\u7684\u53cd\u4f4d\u7f3a\u9677\u5bc6\u5ea6\uff08e\uff09\u4ee5\u53ca\u77ed\u7a0b\u6709\u5e8f\u53c2\u6570\u2014\u2014SROP\uff08f\uff09\uff1b<\/p>\n g-h. \u5bf9\u4e8e\u5176\u4ed6\u5927\u7684L12<\/sub>\u6761\u7eb9\uff08g\u63d2\u56fe\uff0c\u4ece\u6761\u7eb9\u8868\u9762\u4f5c\u4e3a\u957f\u5ea6\u529f\u80fd\uff09\u7684\u53cd\u4f4d\u7f3a\u9677\u5bc6\u5ea6\uff08g\uff09\u548cSROP\uff08h\uff09\u3002<\/p>\n \u6ce8\uff1a\u7ea2\u8272\u66f2\u7ebf\u8868\u793a\u7f3a\u9677\u5bc6\u5ea6\u5206\u5e03\u3002<\/em><\/p>\n \u56fe<\/strong>4 <\/strong>\u91c7\u7528\u539f\u5b50\u5750\u6807\u548c\u5316\u5b66\u6210\u5206\u76f4\u63a5\u8f93\u5165\u7684<\/strong>DFT<\/strong>\u6cd5\u83b7\u5f97\u7684<\/strong>[100]<\/strong>\u548c<\/strong>[001]<\/strong>\u65b9\u5411\u4e4b\u95f4\u7684\u5c40\u57df\u78c1\u6676\u5404\u5411\u5f02\u6027\u80fd\uff08<\/strong>MAE<\/strong>\uff09\u4fe1\u606f<\/strong><\/p>\n a. \u9ed1\u8272\u65b9\u5757\u8868\u793a\u901a\u8fc7\u516d\u5d4c\u5957\u7acb\u65b9\u4f53\uff08\u516d\u4e2a\u6240\u542b\u539f\u5b50\u6570\u5206\u522b\u4e3a\uff1a32\uff0c108\uff0c256\uff0c500\uff0c864\u548c1372\uff09\u8ba1\u7b97\u800c\u5f97\u7684MAEs\u4fe1\u606f\uff0c\u84dd\u8272\u5706\u5757\u8868\u793a\u5c06L10<\/sub>\u7403\u6839\u636e\u4e0d\u540c\u5c3a\u5bf8\u5d4c\u5165\u7acb\u65b9L12<\/sub>\u6761\u7eb9\u7684\u7ed3\u679c\uff0c\u7ea2\u8272\u539f\u70b9\u8868\u793a\u88ab\u76f8\u5e94\u516d\u5d4c\u5957\u7acb\u65b9\u4f53\u4e2d\u768432\u539f\u5b50\u5927\u5c0f\u7684\u7a7a\u95f4\u6240\u5e73\u5747\u7684\u5c40\u57dfMAEs\uff1b<\/p>\n b. 1470\u539f\u5b50\u6570\u7684\u8d85\u7ea7\u6676\u80de\u5185\u90e8\u7684\u6240\u670932\u539f\u5b50\u5927\u5c0f\u7684\u7a7a\u95f4\u7684MAEs\uff0c\u4f5c\u4e3aL10<\/sub>\u6709\u5e8f\u53c2\u6570\u5dee\u5f02\uff1bL10<\/sub>\u6709\u5e8f\u53c2\u6570\u5dee\u5f02\u70b9\u53ef\u4ee5\u7531\u4ece[001]\u65b9\u5411\u51fa\u53d1\u5230\u6cbf\u7740[100]\u65b9\u5411\u7684SROP\u83b7\u5f97\uff0c\u540c\u65f6\uff0c\u5176\u4e2d\u7684SROP\u53ef\u4ee5\u901a\u8fc732\u539f\u5b50\u7a7a\u95f4\u4f53\u79ef\u8ba1\u7b97\u800c\u5f97\uff1b\u5706\u70b9\u548c\u8bef\u5dee\u68d2\u5206\u522b\u4ee3\u8868\u5e73\u5747\u503c\u548c\u6807\u51c6\u504f\u5dee\uff0c32\u539f\u5b50\u7a7a\u95f4\u90a3\u4e2a\u5c31\u7231\u4f60\u7684\u6570\u503c\u4ece\u5de6\u5230\u53f3\u5206\u522b\u4e3an=2\uff0c17\uff0c63\uff0c631\uff0c284\uff0c164\uff0c 92\uff0c 128\uff0c 45\u548c26\uff1b\u8d1f\u6570\u503c\u7684MAE\u8868\u660e\u5b83\u4eec\u7684\u78c1\u6613\u8f74\u662f\u6cbf\u7740[100]\u65b9\u5411\u7684\uff0c\u800c\u975e[001]\u65b9\u5411\uff1b<\/p>\n c. 1470\u6570\u539f\u5b50\u8d85\u7ea7\u6676\u80de\u5185\u90e8\u7684\u4e09\u7ef4\u7b49\u52bf\u9762\uff0c\u5176\u4e2d\uff0c\u4e0a\u56fe\u8868\u793a\u5c40\u57dfMAE\uff0c\u4e0b\u56fe\u8868\u793a\u6709\u5e8f\u53c2\u6570\u5dee\u5f02\uff1b<\/p>\n d. L10<\/sub>\u548cL12<\/sub>\u6676\u754c\u4e2d\u7684\u5c40\u57dfMAE\u5206\u5e03\uff0c\u4ece\u6ed1\u52a8\u5c40\u57df\u4f53\u79ef\u8ba1\u7b97\u63d2\u503c\u5e76\u8986\u76d6\u540e\u4ee5\u6d4b\u91cf\u539f\u5b50\u4f4d\u7f6e\u3002<\/p>\n \u539f\u6587\u94fe\u63a5\uff1a<\/strong>Deciphering chemical order\/disorder and material properties at the single-atom level<\/a>\uff08Nature 542, 75\u201379 (02 February 2017) DOI: <\/strong>10.1038\/nature21042\uff09<\/p>\n \u672c\u6587\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u8ba1\u7b97\u6750\u6599\u7ec4Carbon<\/strong>\u4f9b\u7a3f\uff0c\u6750\u6599\u725b\u7f16\u8f91\u6574\u7406\u3002\u70b9\u6211\u52a0\u5165\u6750\u6599\u4eba\u7f16\u8f91\u90e8<\/a>\u3002<\/p>\n \u6b22\u8fce\u8bd5\u7528\u6750\u6599\u4eba\u4ee3\u7406\u7684\u5929\u6cb32\u53f7\u8d85\u7ea7\u8ba1\u7b97\u673a\uff1b\u53c2\u4e0e\u8ba1\u7b97\u6750\u6599\u8bdd\u9898\u8ba8\u8bba\uff0c\u8bf7\u52a0\u5165\u6750\u6599\u4eba\u8ba1\u7b97\u6750\u6599\u7fa4\uff08562663183\uff09\uff1b\u53c2\u4e0e\u8ba1\u7b97\u6750\u6599\u6587\u732e\u89e3\u8bfb\u548c\u6587\u732e\u6c47\u603b\u53ca\u8ba1\u7b97\u6750\u6599\u77e5\u8bc6\u79d1\u666e\u7b49\uff0c\u8bf7\u52a0\u5165\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u8ba1\u7b97\u6750\u6599\u7ec4\uff08\u62a5\u540d\u8bf7\u6233\u6211<\/a>\uff09\u6216\u8005\u8054\u7cfb\uff1a\u7075\u5bf8\uff08418703364\uff09\u3002<\/p>\n<\/p>\n
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