{"id":78678,"date":"2017-05-07T06:30:16","date_gmt":"2017-05-06T22:30:16","guid":{"rendered":"\/\/m.iemloyee.com\/?p=78678"},"modified":"2017-05-06T18:03:09","modified_gmt":"2017-05-06T10:03:09","slug":"%e4%b8%ad%e5%9b%bd%e7%a7%91%e6%8a%80%e5%a4%a7%e5%ad%a6nano-lett-%e5%85%b7%e6%9c%89%e5%a2%9e%e5%bc%ba%e8%87%aa%e6%97%8b%e6%9e%81%e5%8c%96%e7%8e%87%e7%9a%842d-fe2si%e7%ba%b3%e7%b1%b3%e7%89%87%e7%9a%84","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=78678","title":{"rendered":"Nano Lett.: \u5177\u6709\u589e\u5f3a\u81ea\u65cb\u6781\u5316\u7387\u76842D Fe2Si\u7eb3\u7c73\u7247\u7684\u5ba4\u6e29\u94c1\u78c1\u6027"},"content":{"rendered":"

\u3010\u5f15\u8a00\u3011<\/strong><\/span><\/p>\n

\u81ea\u65cb\u7535\u5b50\u5b66\u662f\u57fa\u4e8e\u7535\u5b50\u81ea\u65cb\u8fdb\u884c\u4fe1\u606f\u7684\u5b58\u50a8\u3001\u4f20\u9012\u548c\u5904\u7406\uff0c\u5177\u6709\u8fd0\u884c\u901f\u5ea6\u5feb\u3001\u96c6\u6210\u5ea6\u9ad8\u3001\u80fd\u8017\u4f4e\u7b49\u4f18\u52bf\uff0c\u56e0\u800c\u8fd1\u5e74\u6765\u5728\u79d1\u5b66\u754c\u548c\u4ea7\u4e1a\u754c\u5e7f\u53d7\u5173\u6ce8\u3002\u901a\u5e38\uff0c\u5177\u6709\u5927\u7684\u81ea\u65cb\u6781\u5316\u7387\u3001\u9ad8\u7684\u5c45\u91cc\u6e29\u5ea6(T<\/em>c<\/sub>)\u548c\u5927\u7684\u78c1\u6676\u5404\u5411\u5f02\u6027\u80fd(MAE)\u7684\u94c1\u78c1\u6676\u4f53\u88ab\u8ba4\u4e3a\u662f\u6784\u7b51\u5ba4\u6e29\u4e0b\u5de5\u4f5c\u7684\u7535\u5b50\u81ea\u65cb\u5668\u4ef6\u7684\u57fa\u7840\u3002\u968f\u7740\u4f4e\u7ef4\u6750\u6599\u7814\u7a76\u7684\u6df1\u5165\uff0c\u7279\u522b\u662f\u77f3\u58a8\u70ef\u7684\u53d1\u73b0\uff0c\u53d1\u5c55\u5177\u6709\u4e0a\u8ff0\u7279\u6027\u7684\u4f4e\u7ef4\u94c1\u78c1\u6676\u4f53\u6210\u4e3a\u4e86\u7814\u7a76\u7684\u70ed\u70b9\uff0c\u4f46\u7531\u4e8e\u4f4e\u4ea7\u7387\u53ca\u7f3a\u9677\u7b49\u95ee\u9898\uff0c\u5b9e\u9a8c\u5236\u5907\u4f4e\u7ef4\u94c1\u78c1\u6676\u4f53\u4ecd\u7136\u9762\u4e34\u5de8\u5927\u6311\u6218\u3002\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u53ef\u4ee5\u5bf9\u6750\u6599\u7684\u6027\u8d28\u8fdb\u884c\u9884\u6d4b\uff0c\u4ece\u800c\u5bf9\u6750\u6599\u8fdb\u884c\u521d\u6b65\u7b5b\u9009\uff0c\u6781\u5927\u63d0\u9ad8\u5b9e\u9a8c\u79d1\u5b66\u5bb6\u7684\u5de5\u4f5c\u6548\u7387\uff0c\u7f29\u77ed\u6750\u6599\u7814\u53d1\u5468\u671f\u3002\u56e0\u6b64\u91c7\u7528\u7b2c\u4e00\u6027\u539f\u7406\u8fdb\u884c\u4f4e\u7ef4\u94c1\u78c1\u6676\u4f53\u7684\u7ed3\u6784\u8bbe\u8ba1\u53ca\u6027\u80fd\u9884\u6d4b\u6210\u4e3a\u4e86\u7535\u5b50\u81ea\u65cb\u6750\u6599\u7814\u7a76\u7684\u91cd\u8981\u624b\u6bb5\uff0c\u6b63\u6709\u529b\u63a8\u8fdb\u7740\u7535\u5b50\u81ea\u65cb\u5668\u4ef6\u7684\u7814\u53d1\u5de5\u4f5c\u3002<\/p>\n

\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/span><\/p>\n

\u8fd1\u65e5\uff0c\u4e2d\u56fd\u79d1\u6280\u5927\u5b66<\/strong>\u6b66\u6653\u541b\u6559\u6388(\u901a\u8baf\u4f5c\u8005)<\/strong>\u7b49\u4eba\u901a\u8fc7\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u62a5\u9053\u4e86\u4e00\u79cd\u5177\u6709\u589e\u5f3a\u81ea\u65cb\u6781\u5316\u7387\u548c\u5ba4\u6e29\u94c1\u78c1\u6027\u7684\u65b0\u578b2D Fe2<\/sub>Si\u7eb3\u7c73\u7247\u3002\u8be5\u7eb3\u7c73\u7247\u5177\u6709\u4e09\u89d2\u6676\u683c\u7ed3\u6784\uff0c\u516d\u914d\u4f4d\u7684Si\u548cFe\u539f\u5b50\u5f62\u6210\u51c6\u5e73\u9762\u3002Heyd-Scuseria-Ernzerhof (HSE06)\u6742\u5316\u6cdb\u51fd\u8ba1\u7b97\u663e\u793a\u57fa\u6001\u76842D Fe2<\/sub>Si\u662f\u5177\u6709\u94c1\u78c1\u6027\u7684\u534a\u91d1\u5c5e\uff0c\u5728\u8d39\u7c73\u80fd\u7ea7\u5177\u6709100%\u7684\u81ea\u65cb\u6781\u5316\u7387\uff1b\u800c\u58f0\u5b50\u8c31\u548c\u4ece\u5934\u8ba1\u7b97\u5206\u5b50\u52a8\u529b\u5b66(AIMD)\u6a21\u62df\u663e\u793a\u5176\u5177\u6709\u9ad8\u7684\u70ed\u529b\u5b66\u7a33\u5b9a\u6027\uff0c2D\u6676\u4f53\u7ed3\u6784\u53ef\u4fdd\u6301\u52301200K\u4ee5\u4e0a\u3002\u57fa\u4e8eIsing\u6a21\u578b\u7684\u8499\u7279\u5361\u6d1b\u6a21\u62df\u9884\u6d4b2D Fe2<\/sub>Si\u6676\u4f53\u7684\u5c45\u91cc\u6e29\u5ea6\u53ef\u8d85\u8fc7780K\uff0c\u800c\u4e14\u53ef\u4ee5\u901a\u8fc7\u53cc\u8f74\u5e94\u53d8\u8c03\u63a7\u3002\u4f18\u5f02\u7684\u78c1\u5b66\u6027\u80fd\u4f7f\u5f972D Fe2<\/sub>Si\u7eb3\u7c73\u7247\u5728\u7eb3\u7c73\u7535\u5b50\u81ea\u65cb\u5668\u4ef6\u9886\u57df\u975e\u5e38\u5177\u6709\u5e94\u7528\u524d\u666f\u3002\u76f8\u5173\u7814\u7a76\u7ed3\u679c\u4ee5\u201cRoom-Temperature Ferromagnetism in Two-Dimensional Fe2<\/sub>Si Nanosheet with Enhanced Spin-Polarization Ratio\u201d<\/strong>\u4e3a\u9898\u4e8e2017\u5e744\u670825\u65e5\u5728Nano Lett.<\/strong>\u4e0a\u5728\u7ebf\u53d1\u8868\u3002<\/p>\n

\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/span><\/p>\n

\u56fe1\uff1a\u4ece\u516d\u65b9Fe2<\/sub>Si\u6676\u4f53\u4e0a\u83b7\u53d62D Fe2<\/sub>Si\u7247<\/strong><\/p>\n

\"\"<\/p>\n

(a, b)\u516d\u65b9Fe2<\/sub>Si\u5757\u6676\u4f53\u7ed3\u6784\u7684\u4fef\u89c6\u56fe\u548c\u6b63\u9762\u89c6\u56fe\uff1b<\/p>\n

(c) HSE06\u6742\u5316\u6cdb\u51fd\u8ba1\u7b97\u7684\u516d\u65b9Fe2<\/sub>Si\u5757\u4f53\u7684\u81ea\u65cb\u6781\u5316\u80fd\u5e26\u7ed3\u6784\u548c\u6001\u5bc6\u5ea6\u3002\u80fd\u5e26\u7ed3\u6784\u4e2d\u7684\u84dd\u8272\u548c\u7ea2\u8272\u5b9e\u73b0\u5206\u522b\u4ee3\u8868\u81ea\u65cb\u5411\u4e0a\u548c\u81ea\u65cb\u5411\u4e0b\u7684\u80fd\u5e26\u3002\u4e3b\u81ea\u65cb\u6781\u5316\u901a\u9053\u548c\u6b21\u81ea\u65cb\u6781\u5316\u901a\u9053\u7684\u6001\u5bc6\u5ea6\u5206\u522b\u7528\u2191\u548c\u2193\u8868\u793a\u3002\u8d39\u7c73\u80fd\u7ea7\u8bbe\u4e3a0\u3002\u0393(0.0, 0.0, 0.0), A(0.0, 0.0, 1\/2), H(-1\/3, 2\/3, 1\/2), K(-1\/3, 2\/3, 0.0), M(0.0, 1\/2, 0.0), L(0, 1\/2, 1\/2)\u4ee3\u8868\u7b2c\u4e00\u5e03\u91cc\u6e0a\u533a\u4e2d\u9ad8\u5bf9\u79f0\u7684k<\/em>\u70b9\uff1b<\/p>\n

(d)2D Fe2<\/sub>Si\u6676\u4f53\u7ed3\u6784\u7684\u4fef\u89c6\u56fe\u548c\u6b63\u9762\u89c6\u56fe\u3002<\/p>\n

\u56fe2\uff1a2D Fe2<\/sub>Si\u7eb3\u7c73\u7247\u7684\u70ed\u529b\u5b66\u7a33\u5b9a\u6027<\/strong><\/p>\n

\"\"<\/p>\n

(a)2D Fe2<\/sub>Si\u6676\u4f53\u7684\u7406\u8bba\u8ba1\u7b97\u58f0\u5b50\u8c31\uff1b<\/p>\n

(b-d) AIMD\u6a21\u62df\u4e2d\uff0c\u572810ps\u65f6\uff0c\u6e29\u5ea6\u5206\u522b\u4e3a900\u30011200\u548c1500K\u65f6\u76842D Fe2<\/sub>Si\u6676\u4f53\u7684\u7ed3\u6784\u5feb\u7167\u3002\u0393(0.0, 0.0, 0.0), M(0.0, 1\/2, 0.0), K(-1\/3, 2\/3, 0.0)\u4ee3\u8868\u7b2c\u4e00\u5e03\u91cc\u6e0a\u533a\u4e2d\u9ad8\u5bf9\u79f0\u7684k<\/em>\u70b9\u3002<\/p>\n

\u56fe3\uff1a2D Fe2<\/sub>Si\u6676\u4f53\u7684\u7535\u5b50\u7279\u6027<\/strong><\/p>\n

\"\"
\n (a)HSE06\u6742\u5316\u6cdb\u51fd\u8ba1\u7b97\u76842D Fe2<\/sub>Si\u6676\u4f53\u539f\u5b50\u8f68\u9053\u4e0a\u7684\u80fd\u5e26\u7ed3\u6784\u3001\u603b\u6001\u5bc6\u5ea6\u548c\u5c40\u90e8\u6001\u5bc6\u5ea6\u3002\u8d39\u7c73\u80fd\u7ea7\u8bbe\u4e3a0\u3002\u80fd\u5e26\u7ed3\u6784\u4e2d\uff0c\u84dd\u8272\u548c\u7ea2\u8272\u7684\u5b9e\u7ebf\u5206\u522b\u4ee3\u8868\u81ea\u65cb\u5411\u4e0a\u548c\u81ea\u65cb\u5411\u4e0b\u7684\u80fd\u5e26\u3002\u2191\u548c\u2193\u5206\u522b\u4ee3\u8868\u81ea\u65cb\u5411\u4e0a\u6781\u5316\u548c\u81ea\u65cb\u5411\u4e0b\u6781\u5316\uff1b<\/p>\n

(b)\u7b49\u503c\u9762\u6570\u503c\u4e3a0.007 au\u7684\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u5206\u5e03\uff1b<\/p>\n

(c)\u7b49\u503c\u9762\u6570\u503c\u4e3a0.03 au\u7684\u81ea\u65cb\u7535\u8377\u5bc6\u5ea6\u5206\u5e03\uff1b<\/p>\n

(d) 2D Fe2<\/sub>Si\u6676\u4f53\u7684\u6a21\u62df\u78c1\u77e9(M<\/em>)\u548c\u6bd4\u70ed(C<\/em>v<\/sub>)\u4e0e\u6e29\u5ea6\u7684\u5173\u7cfb\u3002<\/p>\n

\u56fe4\uff1a\u5e94\u53d8\u5bf92D Fe2<\/sub>Si\u6676\u4f53\u7535\u5b50\u548c\u78c1\u5b66\u6027\u8d28\u7684\u5f71\u54cd<\/strong><\/p>\n

\"\"
\n (a, c)\u5728\u53cc\u8f74\u5e94\u53d8\u5206\u522b\u4e3a-3%\u548c3%\u65f6\uff0cHSE06\u6742\u5316\u6cdb\u51fd\u8ba1\u7b97\u76842D Fe2<\/sub>Si\u6676\u4f53\u7684\u80fd\u5e26\u7ed3\u6784\u548c\u603b\u6001\u5bc6\u5ea6\u3002\u8d39\u7c73\u80fd\u7ea7\u8bbe\u4e3a0\u3002\u80fd\u5e26\u7ed3\u6784\u4e2d\uff0c\u84dd\u8272\u548c\u7ea2\u8272\u7684\u5b9e\u7ebf\u5206\u522b\u4ee3\u8868\u81ea\u65cb\u5411\u4e0a\u548c\u81ea\u65cb\u5411\u4e0b\u7684\u80fd\u5e26\u3002\u2191\u548c\u2193\u5206\u522b\u4ee3\u8868\u81ea\u65cb\u5411\u4e0a\u6781\u5316\u548c\u81ea\u65cb\u5411\u4e0b\u6781\u5316\uff1b<\/p>\n

(b, d)\u5728\u53cc\u8f74\u5e94\u53d8\u5206\u522b\u4e3a-3%\u548c3%\u65f6\uff0c2D Fe2<\/sub>Si\u6676\u4f53\u7684\u6a21\u62df\u78c1\u77e9(M<\/em>)\u548c\u6bd4\u70ed(C<\/em>v<\/sub>)\u4e0e\u6e29\u5ea6\u7684\u5173\u7cfb\u3002<\/p>\n

\u3010\u5c0f\u7ed3\u3011<\/strong><\/span><\/p>\n

\u901a\u8fc7\u7b2c\u4e00\u539f\u7406\u8ba1\u7b97\u8fdb\u884c\u4f4e\u7ef4\u94c1\u78c1\u6676\u4f53\u7684\u7ed3\u6784\u8bbe\u8ba1\u548c\u6027\u80fd\u9884\u6d4b\u662f\u7535\u5b50\u81ea\u65cb\u6750\u6599\u7814\u7a76\u7684\u91cd\u8981\u624b\u6bb5\u3002\u672c\u7814\u7a76\u901a\u8fc7\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u8bbe\u8ba1\u4e86\u4e00\u79cd\u5177\u6709\u7c7b\u77f3\u58a8\u70ef\u7ed3\u6784\u76842D Fe2<\/sub>Si\u6676\u4f53\uff0c\u5e76\u9884\u6d4b\u8be5\u6676\u4f53\u5177\u6709\u975e\u5e38\u4f18\u5f02\u7684\u5ba4\u6e29\u94c1\u78c1\u6027\uff0c\u662f\u53d1\u5c55\u7535\u5b50\u81ea\u65cb\u5668\u4ef6\u5e94\u7528\u975e\u5e38\u6709\u524d\u666f\u7684\u5019\u9009\u6750\u6599\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong>Room-Temperature Ferromagnetism in Two-Dimensional Fe2<\/sub>Si Nanosheet with Enhanced Spin-Polarization Ratio<\/a> (Nano Lett., 2017, DOI: 10.1021\/acs.nanolett.6b04884)<\/p>\n

\u672c\u6587\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u7eb3\u7c73\u5b66\u672f\u7ec4\u6e38\u4e16\u6d77\u6574\u7406\u7f16\u8bd1\uff0c\u70b9\u6211\u52a0\u5165\u6750\u6599\u4eba\u7f16\u8f91\u90e8<\/a>\u3002<\/p>\n

\u6750\u6599\u6d4b\u8bd5\uff0c\u6570\u636e\u5206\u6790\uff0c\u4e0a\u6d4b\u8bd5\u8c37<\/a>\uff01<\/strong><\/p>\n","protected":false},"excerpt":{"rendered":"

\u3010\u5f15\u8a00\u3011 \u81ea\u65cb\u7535\u5b50\u5b66\u662f\u57fa\u4e8e\u7535\u5b50\u81ea\u65cb\u8fdb\u884c\u4fe1\u606f\u7684\u5b58\u50a8\u3001\u4f20\u9012\u548c\u5904\u7406\uff0c\u5177\u6709\u8fd0\u884c\u901f\u5ea6\u5feb\u3001\u96c6\u6210\u5ea6\u9ad8\u3001\u80fd\u8017\u4f4e\u7b49\u4f18\u52bf\uff0c\u56e0\u800c\u8fd1\u5e74\u6765\u5728\u79d1\u5b66\u754c\u548c\u4ea7\u4e1a\u754c\u5e7f\u53d7\u5173\u6ce8\u3002\u901a\u5e38\uff0c\u5177\u6709\u5927\u7684\u81ea\u65cb\u6781\u5316…<\/p>\n","protected":false},"author":3727,"featured_media":78683,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215],"tags":[97,33],"class_list":["post-78678","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-jiedu","tag-computation","tag-nano"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/78678"}],"collection":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/users\/3727"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=78678"}],"version-history":[{"count":8,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/78678\/revisions"}],"predecessor-version":[{"id":79587,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/78678\/revisions\/79587"}],"wp:featuredmedia":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/media\/78683"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=78678"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=78678"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=78678"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}