{"id":158127,"date":"2018-11-07T06:21:33","date_gmt":"2018-11-06T22:21:33","guid":{"rendered":"\/\/m.iemloyee.com\/?p=158127"},"modified":"2018-11-06T18:22:02","modified_gmt":"2018-11-06T10:22:02","slug":"%e5%8d%97%e7%a7%91%e5%a4%a7%e5%88%98%e5%a5%87%e8%88%aa%ef%bc%86%e7%a7%91%e7%bd%97%e6%8b%89%e5%a4%9a%e5%a4%a7%e5%ad%a6prl%ef%bc%9akagome%e9%87%8f%e5%ad%90%e8%87%aa%e6%97%8b%e6%b6%b2%e4%bd%93%e7%9a%84","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=158127","title":{"rendered":"\u5357\u79d1\u5927\u5218\u5947\u822a\uff06\u79d1\u7f57\u62c9\u591a\u5927\u5b66PRL\uff1aKagome\u91cf\u5b50\u81ea\u65cb\u6db2\u4f53\u7684\u7535\u5b50\u63ba\u6742\u5728\u5e26\u9699\u4e2d\u4ea7\u751f\u5c40\u57df\u6001"},"content":{"rendered":"

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

\u78c1\u6027\u53d7\u632b\u5e26\u7edd\u7f18\u4f53\u53ef\u4ee5\u5f62\u6210\u91cf\u5b50\u81ea\u65cb\u6db2\u4f53\uff08QSL\uff09\uff0c\u5728\u4f4e\u6e29\u4e0b\u5448\u73b0\u51fa\u4e00\u79cd\u81ea\u65cb\u65e0\u5e8f\u7684\u76f8\u4e92\u4f5c\u7528\u91cf\u5b50\u4f53\u7cfb\u3002\u5df2\u88ab\u7406\u8bba\u5316\u7684\u91cf\u5b50\u81ea\u65cb\u6db2\u4f53\u4e3a\u590d\u6742\u7684\u9ad8\u6e29\u8d85\u5bfc\u673a\u7406\u63d0\u4f9b\u4e86\u4e00\u79cd\u89c1\u89e3\uff0c\u524d\u63d0\u6761\u4ef6\u662f\u5982\u679c\u901a\u8fc7\u63ba\u6742\u6765\u8c03\u6574\u7535\u5b50\u8ba1\u6570\u81f31e\/site\u5e76\u4e14\u7531\u6b64\u4ea7\u751f\u7684\u8f7d\u6d41\u5b50\u53ef\u4ee5\u81ea\u7531\u79fb\u52a8\u3002\u5177\u6709kagome\u6676\u683c\u7684Heisenberg\u53cd\u94c1\u78c1\u4f53\uff0c\u4f8b\u5982Zn-Cu\u7f9f\u57fa\u5364\u5316\u7269Herbertsmisite\u88ab\u5b9e\u9a8c\u8bc1\u5b9e\u5177\u6709\u82e5\u5e72\u4e2aQSL\u7684\u7269\u7406\u7279\u6027\uff08\u5982\u5206\u6570\u6fc0\u53d1\uff09\uff0c\u56e0\u6b64\u8fd9\u7c7b\u6750\u6599\u7684\u63ba\u6742\u6027\u8d28\u5341\u5206\u5f15\u4eba\u5173\u6ce8\u3002\u7136\u800c\uff0c\u771f\u5b9e\u56fa\u4f53\u4e2d\u7684\u8d39\u7c73\u80fd\u7ea7\uff08EF<\/sub>\uff09\u901a\u5e38\u4e0d\u80fd\u901a\u8fc7\u4efb\u610f\u63d0\u9ad8\u7535\u5b50\u8ba1\u6570\u6765\u968f\u610f\u79fb\u52a8\uff0c\u56e0\u4e3a\u5f15\u5165\u7535\u5b50\u6216\u7a7a\u7a74\u540e\u7684EF\u5904\u5728\u4e00\u4e2a\u4e0d\u540c\u7535\u5b50\u6001\u5185\uff0c\u8fdb\u800c\u53ef\u4ee5\u6539\u53d8\u5316\u5b66\u952e\u5e76\u9020\u6210\u539f\u5b50\u4f4d\u79fb\uff0c\u7ee7\u800c\u5f97\u5230\u4e00\u4e2a\u81ea\u6d3d\u7684\u65b0EF<\/sub>\u3002\u56e0\u6b64\uff0c\u9700\u8981\u7406\u8bba\u5de5\u4f5c\u6765\u7406\u89e3\u548c\u9884\u6d4bkagome QSL\u4e2d\u8f7d\u6d41\u5b50\u5d4c\u5165\u7684\u4f5c\u7528\uff0c\u7279\u522b\u662f\u5c40\u90e8\u7ed3\u6784\u65e0\u5e8f\u548c\u53ef\u80fd\u7684\u7535\u5b50\u5c40\u57df\u503e\u5411\u3002<\/p>\n

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

\u8fd1\u65e5\uff0c\u5357\u65b9\u79d1\u6280\u5927\u5b66\u5218\u5947\u822a\u526f\u6559\u6388\u548c\u79d1\u7f57\u62c9\u591a\u5927\u5b66\u535a\u5c14\u5fb7\u5206\u6821Alex Zunger\u6559\u6388\uff08\u5171\u540c\u901a\u8baf\u4f5c\u8005\uff09<\/strong>\u7b49\u4eba\u901a\u8fc7\u7b2c\u4e00\u6027\u539f\u7406\u7684\u5bc6\u5ea6\u6cdb\u51fd\u8ba1\u7b97\u5bf9\u81ea\u76f8\u4e92\u4f5c\u7528\u8fdb\u884c\u4fee\u6b63\uff0c\u8bc1\u660e\u4e86\u7535\u5b50\u5728\u4e00\u7cfb\u5217Zn-Cu\u7f9f\u57fa\u5364\u5316\u7269\u4e2d\u4fdd\u6301\u5c40\u57df\u5316\u7684\u673a\u7406\uff0c\u4e0e\u5176\u63ba\u6742\u5242\u7684\u5316\u5b66\u7279\u6027\u65e0\u5173\u2014\u2014\u5f62\u6210\u4f34\u968f\u6676\u683c\u4f4d\u79fb\u7684\u6781\u5316\u5b50\u4ee5\u53ca\u5728\u7535\u5b50\u52a0\u5165\u65f6\u5e26\u5bbd\u7684\u6025\u5267\u7a84\u5316\u3002\u540c\u6837\u7684\u7406\u8bba\u65b9\u6cd5\u4e5f\u9002\u7528\u4e8e\u94dc\u9178\u76d0Nd2<\/sub>CuO4<\/sub>\u7684\u7535\u5b50\u63ba\u6742\uff0c\u5f53\u63ba\u6742\u81f3\u4e00\u5b9a\u6d53\u5ea6\uff0c\u6700\u521d\u5f62\u6210\u7684\u6781\u5316\u5b50\u6eb6\u89e3\u4e3a\u4e00\u79cd\u5e7f\u5ef6\u6001\u65f6\uff0c\u8be5\u94dc\u9178\u76d0\u4f1a\u4ea7\u751f\u4e00\u79cd\u91d1\u5c5e\u6001\uff0c\u5f88\u597d\u89e3\u91ca\u4e86\u524d\u4eba\u7684\u5b9e\u9a8c\u3002\u8be5\u7814\u7a76\u53d1\u73b0\u89e3\u91ca\u4e86\u5404\u79cd\u201c\u63ba\u6742\u201d\u91cf\u5b50\u78c1\u6027\u6750\u6599\u4e2d\u7684\u7edd\u7f18\u884c\u4e3a\uff0c\u800c\u4e14\u8bc1\u660e\u4e86\u9700\u8981\u65b0\u578b\u91cf\u5b50\u81ea\u65cb\u6db2\u4f53\u5bbf\u4e3b\u6750\u6599\u6765\u5b9e\u73b0\u81ea\u65cb\u6db2\u4f53\u7684\u91d1\u5c5e\u6027\u3002\u8be5\u7814\u7a76\u6210\u679c\u4ee5\u9898\u4e3a\u201cElectron Doping of Proposed Kagome Quantum Spin Liquid Produces Localized States in the Band Gap<\/strong>\u201d\u53d1\u8868\u4e8ePhy. Rev. Lett.<\/strong>\u4e0a\u3002<\/p>\n

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

\u56fe\u4e00 ZnCu3<\/sub>(OH)6<\/sub>BrF\u7684\u7ed3\u6784\u4e0e\u63ba\u6742\u540e\u7684\u6001\u5bc6\u5ea6<\/strong><\/p>\n

\"\"
\n \uff08a\uff09P63<\/sub>\/mmc ZnCu3<\/sub>(OH)6<\/sub>BrF\u7684kagome\u6676\u4f53\u7ed3\u6784\u56fe
\n \uff08b\uff09HSE06\u8ba1\u7b97\u672a\u63ba\u6742\u7684ZnCu3<\/sub>(OH)6<\/sub>BrF\uff0c\u6a59\u8272\u66f2\u7ebf\u4ee3\u8868\u4e00\u4e2aCu2+<\/sup>\u79bb\u5b50\u7684\u6295\u5f71\u6001\u5bc6\u5ea6
\n \uff08c\uff09HSE06\u8ba1\u7b97\u4e00\u4e2a\u7535\u5b50\u91c7\u7528\u975e\u5316\u5b66\u63ba\u6742\u8fdb\u5165144\u4e2a\u539f\u5b50\u7684\u8d85\u539f\u80de\u4e2d\u7684\u6001\u5bc6\u5ea6\uff0c\u6a59\u8272\u66f2\u7ebf\u4ee3\u8868\u901a\u8fc7\u63ba\u6742\u6240\u5f97Cu1+<\/sup>\u6781\u5316\u5b50\u7684\u6295\u5f71\u6001\u5bc6\u5ea6
\n \uff08d\uff09\u6700\u9ad8\u5360\u636e\u6001\u7684\u6781\u5316\u5b50\u7535\u8377\u5bc6\u5ea6\uff08\u9ec4\u8272\uff09\u7b49\u503c\u9762<\/p>\n

\u56fe\u4e8c \u4fee\u6b63DFT\u5f97\u5230\u7684\u7535\u5b50\u63ba\u6742ZnCu3<\/sub>(OH)6<\/sub>BrF\u7684\u6001\u5bc6\u5ea6\u4e0e\u7535\u8377\u5bc6\u5ea6<\/strong><\/p>\n

\"\"
\n \uff08a\uff0cc\uff09\u672a\u4fee\u6b63\u7684\u975e\u5316\u5b66\u6cd5\u63ba\u6742\u4e00\u4e2a\u7535\u5b50\u7684ZnCu3<\/sub>(OH)6<\/sub>BrF\u7684\u6001\u5bc6\u5ea6\u8d39\u7c73\u80fd\u7ea7\u5904\u7684\u7535\u8377\u5bc6\u5ea6
\n \uff08b\uff0cd\uff09 \u4fee\u6b63\u53c2\u6570\u03bbe<\/sub>=2 eV\u7684\u975e\u5316\u5b66\u6cd5\u63ba\u6742\u4e00\u4e2a\u7535\u5b50\u7684ZnCu3<\/sub>(OH)6<\/sub>BrF\u7684\u6001\u5bc6\u5ea6\u548c\u6781\u5316\u5b50\u6700\u9ad8\u5360\u636e\u6001\u7684\u7535\u8377\u5bc6\u5ea6<\/p>\n

\u56fe\u4e09 \u4fee\u6b63\u53c2\u6570\u5bf9\u4e8e\u7535\u5b50\u63ba\u6742ZnCu3<\/sub>(OH)6<\/sub>BrF\u6548\u679c\u7684\u5f71\u54cd<\/strong><\/p>\n

\"\"
\n \uff08a\uff09\u5bf9\u4e8e\u7535\u5b50\u63ba\u6742\u7684ZnCu3<\/sub>(OH)6<\/sub>BrF\uff0cCu\u7684Cu-O\u952e\u957f\u548c\u78c1\u77e9\u4e0e\u4fee\u6b63\u53c2\u6570\u03bbe<\/sub>\u7684\u51fd\u6570\u5173\u7cfb
\n \uff08b\uff09Koopmans\u5b9a\u7406\u5173\u4e8e\u9009\u53d6\u4fee\u6b63\u53c2\u6570\u03bbe<\/sub>\u7684\u51fd\u6570\u5173\u7cfb<\/p>\n

\u56fe\u56db \u4fee\u6b63DFT\u5728Nd2<\/sub>CuO4<\/sub>\u4f53\u7cfb\u4e2d\u7684\u5e94\u7528<\/strong><\/p>\n

\"\"
\n \uff08a\uff09\u5728\u03bbe<\/sub>=2 eV\u3001Nd2<\/sub>CuO4<\/sub>\u7684\u7535\u5b50\u63ba\u6742\u6d53\u5ea6\u4e3a12.5%\u65f6Cu\u548cO\uff08\u5206\u522b\u662f\u6a59\u8272\u548c\u84dd\u8272\uff09\u7684\u8ba1\u7b97\u6001\u5bc6\u5ea6\uff08\u9ed1\uff09\u548c\u6295\u5f71\u6001\u5bc6\u5ea6
\n \uff08b\uff09\u6700\u9ad8\u5360\u636e\u6001\uff08EF<\/sub>\u4ee5\u4e0b\uff09\u7684\u7535\u8377\u5bc6\u5ea6\u8868\u660e\u6781\u5316\u5b50\u91cd\u53e0\uff08\u7eff\u8272\u5708\uff09
\n \uff08c\uff09\u6cbf\u7740\u7279\u5b9a\u7ebf\u7684\u7535\u8377\u5bc6\u5ea6\uff0c\u865a\u7ebf\u8868\u660e1D\u7535\u8377\u5bc6\u5ea6\u7684\u6700\u5c0f\u503c\uff0c\u5bf9\u5e94\u7684\u6781\u5316\u5b50\u76f4\u5f84\u4e3a6.4 \u00c5<\/p>\n

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

\u7814\u7a76\u4eba\u5458\u8bc1\u660e\u4e86\u4e00\u7cfb\u5217Zn-Cu\u7f9f\u57fa\u5364\u5316\u7269\u4f5c\u4e3akagome\u91cf\u5b50\u81ea\u65cb\u6db2\u4f53\u5019\u9009\u6750\u6599\u4e2d\u5e7f\u6cdb\u7684\u7535\u5b50\u63ba\u6742\u6240\u5f15\u8d77\u7684\u7edd\u7f18\u884c\u4e3a\u7684\u673a\u7406\uff0c\u5373Cu-O\u591a\u4f53\u5177\u6709\u5c06\u589e\u52a0\u7684\u7535\u5b50\u5b9a\u4f4d\u5230\u81ea\u9677\u6781\u5316\u5b50\u6001\u7684\u56fa\u6709\u8d8b\u52bf\u3002\u63ba\u6742\u5f15\u8d77\u7684\u65e0\u5e8f\u6027\uff0c\u65e0\u8bba\u662f\u7531\u4e8e\u8f93\u5165\u8f7d\u6d41\u5b50\u7684\u968f\u673a\u6027\u8fd8\u662f\u901a\u8fc7\u5316\u5b66\u63ba\u6742\u5242\u5f15\u8d77\u7684\u5c40\u90e8\u7578\u53d8\uff0c\u90fd\u53ef\u80fd\u8fdb\u4e00\u6b65\u7a33\u5b9a\u6781\u5316\u5b50\u3002\u56e0\u6b64\uff0c\u5f53\u7535\u5b50\u63ba\u6742\u65f6\uff0c\u4efb\u4f55\u5177\u6709\u4e09\u89d2\u5f62\u6a21\u4f53\u7684Cu2+<\/sup>\u7f9f\u57fa\u5316\u5408\u7269\u90fd\u53ef\u80fd\u96be\u4ee5\u652f\u6301\u81ea\u7531\u8f7d\u6d41\u5b50\u3002\u8be5\u5b9e\u9a8c\u8868\u660e\u4e86\u9700\u8981\u65b0\u7684\u91cf\u5b50\u81ea\u65cb\u6db2\u4f53\u5019\u9009\u6750\u6599\u901a\u8fc7\u5171\u632f\u4ef7\u952e\u7406\u8bba\u6765\u5b9e\u73b0\u91d1\u5c5e\u6027\u548c\u9ad8\u6e29\u8d85\u5bfc\u6027\u3002<\/p>\n

\u6587\u732e\u8fde\u63a5\uff1aElectron Doping of Proposed Kagome Quantum Spin Liquid Produces Localized States in the Band Gap<\/a><\/strong>\uff08Physical Review Letters, 2018, DOI: 10.1103\/PhysRevLett.121.186402\uff09<\/p>\n

\u672c\u6587\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u8ba1\u7b97\u6750\u6599\u7ec4\u675c\u6210\u6c5f\u7f16\u8bd1\u4f9b\u7a3f\uff0c\u6750\u6599\u725b\u6574\u7406\u7f16\u8f91\u3002<\/p>\n

\u6b22\u8fce\u5927\u5bb6\u5230\u6750\u6599\u4eba\u5ba3\u4f20\u79d1\u6280\u6210\u679c\u5e76\u5bf9\u6587\u732e\u8fdb\u884c\u6df1\u5165\u89e3\u8bfb\uff0c\u6295\u7a3f\u90ae\u7bb1tougao@cailiaoren.com.<\/p>\n

\u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1acailiaorenvip.<\/p>\n","protected":false},"excerpt":{"rendered":"

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