{"id":134212,"date":"2018-04-17T14:00:32","date_gmt":"2018-04-17T06:00:32","guid":{"rendered":"\/\/m.iemloyee.com\/?p=134212"},"modified":"2018-04-17T10:32:52","modified_gmt":"2018-04-17T02:32:52","slug":"science-advances%ef%bc%9afeiii-v%e6%97%8f%e6%b0%ae%e5%8c%96%e7%89%a9%e8%96%84%e8%86%9c%e4%b8%ad%e7%9a%84%e5%9e%82%e7%9b%b4%e7%a3%81%e5%90%84%e5%90%91%e5%bc%82%e6%80%a7","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=134212","title":{"rendered":"Science Advances\uff1aFe\/III-V\u65cf\u6c2e\u5316\u7269\u8584\u819c\u4e2d\u7684\u5782\u76f4\u78c1\u5404\u5411\u5f02\u6027"},"content":{"rendered":"
\u3010\u5f15\u8a00\u3011<\/strong><\/p>\n \u6700\u8fd1\uff0c\u8fc7\u6e21\u91d1\u5c5e\u8584\u819c\u4e2d\u7684\u5782\u76f4\u78c1\u5404\u5411\u5f02\u6027\u4e3a\u5f00\u53d1\u5e7f\u6cdb\u7684\u81ea\u65cb\u7535\u5b50\u5b66\u5e94\u7528\u63d0\u4f9b\u4e86\u9014\u5f84\u3002\u8fc7\u6e21\u91d1\u5c5e\u8584\u819c\u7684PMA\u80fd\u7ea7\u53ea\u6709\u7ea61meV\uff0c\u8fd9\u79cd\u9650\u5236\u6210\u4e3a\u8d85\u9ad8\u5bc6\u5ea6\u5b58\u50a8\u548c\u5b58\u50a8\u5668\u4ef6\u53d1\u5c55\u7684\u74f6\u9888\u3002\u78c1\u6027\u8584\u819c\u4e2d\u7684\u5782\u76f4\u78c1\u5404\u5411\u5f02\u6027\u53ef\u4ee5\u4ea7\u751f\u4e30\u5bcc\u7684\u7269\u7406\u6027\u80fd\uff0c\u5e76\u6210\u4e3a\u78c1\u6027\u5b58\u53d6\u5b58\u50a8\u5668\u5668\u4ef6\u53d1\u5c55\u7684\u5173\u952e\u9a71\u52a8\u529b\uff0c\u5728\u7eb3\u7c73\u7ed3\u6784\u548c\u7eb3\u7c73\u56fe\u5f62\u5316\u78c1\u6027\u591a\u5c42\u819c\u4e2d\u5efa\u7acbPMA\u4e3a\u7eb3\u7c73\u78c1\u5b66\u94fa\u5e73\u4e86\u4e00\u6761\u65b0\u9014\u5f84\u3002<\/p>\n \u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n \u8fd1\u65e5\uff0c\u6765\u81ea\u7f8e\u56fd\u65b0\u7f55\u5e03\u4ec0\u5c14\u5927\u5b66\u7269\u7406\u7cfb\u7684\u81e7\u4f73\u680b\u6559\u6388\uff08\u901a\u8baf\u4f5c\u8005\uff09<\/strong>\u7684\u56e2\u961f\u5728 Science Advances<\/strong>\u53d1\u8868\u4e86\u9898\u4e3aGiant perpendicular magnetic anisotropy in Fe\/III-V nitride thin films<\/strong>\u7684\u6587\u7ae0\uff0c\u6839\u636e\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\uff0c\u4ed6\u4eec\u5728III-V\u65cf\u6c2e\u5316\u7269\u7684\u5d4c\u5165\u5f0f\u56fe\u50cfN-\u7ec8\u7aef\u8868\u9762\u4e0a\u53d1\u73b0\u4e86\u524d\u6240\u672a\u6709\u7684PMA\u94c1\u8584\u819c\u751f\u957f\uff0c\u5bf9\u79f0\u4fdd\u62a4\u7684x2<\/sup>-y2<\/sup>\u548cxy\u8f68\u9053\u4e4b\u95f4\u7684\u7b80\u5e76\u6027\u53ca\u5176\u81ea\u65cb\u8f68\u9053\u8026\u5408\u7684\u5347\u529b\u8d77\u4e3b\u5bfc\u4f5c\u7528\u3002\u56e0\u6b64\uff0cFe\/III-V\u6c2e\u5316\u7269\u8584\u819c\u4e2d\u7684PMA\u4e3b\u8981\u53d7\u81ea\u65cb\u8f68\u9053\u8026\u5408\u7684\u4e00\u9636\u6270\u52a8\u63a7\u5236\uff0c\u800c\u4e0d\u662f\u5e38\u89c4\u8fc7\u6e21\u91d1\u5c5e\/\u6c27\u5316\u7269\u8584\u819c\u4e2d\u7684\u4e8c\u9636\u6270\u52a8\u3002<\/p>\n \u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n \u56fe<\/strong>1<\/strong>\uff1a<\/strong>Fe<\/strong>\uff08<\/strong>1ML<\/strong>\uff09<\/strong>\/III-V<\/strong>\u6c2e\u5316\u7269\u7684<\/strong>PMA<\/strong><\/p>\n a:\u5728\u9876\u89c6\u56fe\uff0c\u4fa7\u89c6\u56fe\u548c\u900f\u89c6\u56fe\u4e2d\u6c89\u79ef\u5728III-V\u6c2e\u5316\u7269XN\uff08X = B\uff0cAl\uff0cGa\u548cIn\uff09\u886c\u5e95\u7684\u5d4c\u5165\u56fe\u50cfN\u7aef\u8868\u9762\u4e0a\u7684\u5355\u5c42Fe\u7684\u8868\u9762\u7ed3\u6784\uff1b<\/p>\n b: Fe\uff083d\uff09\u7684\u81ea\u65cb\u591a\u6570\uff08\u81ea\u65cb\u5411\u4e0a\uff09\u548c\u5c11\u6570\uff08\u81ea\u65cb\u5411\u4e0b\uff09\u901a\u9053\u7684\u6676\u573a\u56fe\uff1b<\/p>\n c:\u4f5c\u4e3a\u5d4c\u5165\u56fe\u50cf\u7684\u51fd\u6570\u7684Fe\/III-V\u6c2e\u5316\u7269\u8584\u819c\u7684\u6bcf\u5355\u4f4d\u6676\u80de\u7684\u76f8\u5bf9\u603b\u80fd\u91cf\uff0c\u5176\u4e2d\u03b8\u8868\u793a\u78c1\u5316\u53d6\u5411\u4e0ez\u65b9\u5411\u4e4b\u95f4\u7684\u89d2\u5ea6\u3002<\/p>\n \u56fe<\/strong>2 <\/strong>\uff1a<\/strong>Fe<\/strong>\uff08<\/strong>1ML<\/strong>\uff09<\/strong>\/ GaN<\/strong>\u4e2d<\/strong>Fe<\/strong>\uff08<\/strong>3d<\/strong>\uff09\u8f68\u9053\u7684\u7535\u8377\u5206\u5e03\u548c\u7535\u5b50\u7ed3\u6784<\/strong><\/p>\n a: Fe\/GaN\u7684\u603b\u7535\u8377\u5bc6\u5ea6\u4e0e\u60ac\u6d6e\u76841ML Fe\u548c\u7eafGaN\u8d85\u5355\u5143\u7684\u7535\u8377\u5bc6\u5ea6\u7684\u603b\u548c\u4e4b\u95f4\u7684\u6b63\u7535\u8377\u548c\u8d1f\u7535\u8377\u90e8\u5206\uff1b<\/p>\n c-f: \u5728\u6ca1\u6709SOC\u7684\u60c5\u51b5\u4e0b\uff0c\u8f68\u9053\u5206\u89e3\u7684\u6295\u5c04\u72b6\u6001\u5bc6\u5ea6\uff08PDOS\uff09\u5206\u522b\u4e3a3z2<\/sup> – r2<\/sup>\uff0cxz\/yz\u548cx2<\/sup> – y2<\/sup>\/xy\u8f68\u9053\uff1b<\/p>\n g: \u5f53\u5305\u62ecSOC\u65f6\uff0c\u6bcf\u4e2aFe\uff083d\uff09\u8f68\u9053\u548cPMA\u7684\u804c\u4e1a\u7f16\u53f7\u4f5c\u4e3aHubbard U\u7684\u51fd\u6570\u3002<\/p>\n \u56fe<\/strong>3<\/strong>\uff1a<\/strong>BN<\/strong>\uff0c<\/strong>AlN<\/strong>\u548c<\/strong>InN<\/strong>\u4e0a\u7684<\/strong>1ML Fe<\/strong>\u7535\u5b50\u7ed3\u6784<\/strong><\/p>\n a: \u6ca1\u6709SOC\u7684x2<\/sup> – y2<\/sup>\/xy\u8f68\u9053\u7684PDOS\uff0c\u81ea\u65cb\u5c11\u6570\u901a\u9053\u4e2d\u7684\u5e26\u5bbd\u7531\u53cc\u7bad\u5934\u8868\u793a\uff1b<\/p>\n b: \u5177\u6709SOC\u7684Fe\uff083d\uff09\u7684PDOS\uff0c\u5728\uff08D\uff09\u4e2d\uff0c\u9634\u5f71\u533a\u57df\u5c06\u6295\u5f71\u6295\u5f71\u5230x2<\/sup>-y2<\/sup>\/xy\u8f68\u9053\u4e0a\uff0c\u5176\u4e2d\u5206\u88c2\u7684\u5927\u5c0f\u7531\u53cc\u7bad\u5934\u8868\u793a\u3002<\/p>\n \u56fe<\/strong>4<\/strong>\uff1a<\/strong>GGA-PBE<\/strong>\uff0c<\/strong>GGA +U<\/strong>\u548c<\/strong>HSE06<\/strong>\u4e4b\u95f4\u7535\u5b50\u7ed3\u6784\u7684\u6bd4\u8f83<\/strong><\/p>\n \uff08A\uff09GGA-PBE\u3001\uff08B\uff09GGA+U\u548c\uff08C\uff09HSE06\u5f97\u5230\u7684\u6ca1\u6709SOC\u7684Fe\uff081ML\uff09\/GaN\u7684DOS\uff08\u7070\u8272\u865a\u7ebf\uff09\u548cPDOS \uff0c\uff08B\uff09\u548c\uff08C\uff09\u4e4b\u95f4\u7684\u8868\u793aU=4.0eV\u65f6\u7684GGA + U\u53ef\u4ee5\u5f88\u597d\u5730\u63cf\u8ff0\u8be5\u7cfb\u7edf\u4e2d\u7684Fe\uff083d\uff09\u8f68\u9053\u3002<\/p>\n \u3010\u5c0f\u7ed3\u3011<\/strong><\/p>\n<\/p>\n
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