{"id":91641,"date":"2017-07-22T06:30:40","date_gmt":"2017-07-21T22:30:40","guid":{"rendered":"\/\/m.iemloyee.com\/?p=91641"},"modified":"2017-07-18T09:07:19","modified_gmt":"2017-07-18T01:07:19","slug":"phys-rev-lett-%ef%bc%9a%e6%b0%9f%e5%8c%96%e9%94%b0%e7%9a%84%e8%87%aa%e6%97%8b%e6%9e%81%e5%8c%96%e5%a4%9a%e9%87%8d%e7%8b%84%e6%8b%89%e5%85%8b%e7%8e%af%e7%9a%84%e7%ac%ac%e4%b8%80%e6%80%a7%e5%8e%9f","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=91641","title":{"rendered":"Phys. Rev. Lett.\uff1a\u6c1f\u5316\u9530\u7684\u81ea\u65cb\u6781\u5316\u591a\u91cd\u72c4\u62c9\u514b\u73af\u7684\u7b2c\u4e00\u6027\u539f\u7406\u9884\u6d4b"},"content":{"rendered":"

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

\u81ea\u65cb\u7535\u6d41\u5728\u4fe1\u606f\u4f20\u64ad\u9886\u57df\u663e\u793a\u51fa\u6bd4\u7ecf\u5178\u7535\u6d41\u66f4\u4f18\u5f02\u7684\u6027\u80fd\uff0c\u901f\u5ea6\u5feb\u4e14\u80fd\u91cf\u6d88\u8017\u53ef\u5ffd\u7565\u4e0d\u8ba1\u3002\u56e0\u6b64\uff0c\u81ea\u65cb\u7535\u6d41\u5728\u8fc7\u53bb\u51e0\u5341\u5e74\u4e2d\u5f15\u8d77\u4e86\u6781\u5927\u7684\u5173\u6ce8\uff0c\u81ea\u65cb\u7535\u5b50\u6280\u672f\u8fc5\u901f\u53d1\u5c55\u3002\u8fc4\u4eca\u4e3a\u6b62\uff0c\u5df2\u7ecf\u7814\u53d1\u51fa\u4e86\u8bb8\u591a\u81ea\u65cb\u7535\u5b50\u5b66\u6750\u6599\u3002\u4f46\u82e5\u60f3\u53d1\u6325\u81ea\u65cb\u7535\u5b50\u5728\u4fe1\u53f7\u4f20\u9001\u548c\u5b58\u50a8\u65b9\u9762\u7684\u5168\u90e8\u6f5c\u529b\uff0c\u4ecd\u7136\u6709\u4e00\u4e9b\u57fa\u672c\u95ee\u9898\u4e9f\u5f85\u89e3\u51b3\uff0c\u8b6c\u5982\u957f\u8ddd\u79bb\u81ea\u65cb\u4f20\u8f93\u4ee5\u53ca\u81ea\u65cb\u6781\u5316\u7535\u6d41\u7684\u4ea7\u751f\u548c\u5bfc\u5165\u3002\u9664\u6b64\u4e4b\u5916\uff0c\u65b0\u4e00\u4ee3\u81ea\u65cb\u7535\u5b50\u6750\u6599\u7684\u5de8\u5927\u6311\u6218\u662f\u5982\u4f55\u4f7f\u5f97\u7535\u5b50\u540c\u65f6\u6ee1\u8db3\u8d85\u9ad8\u901f\u4f20\u8f93\u548c\u8d85\u4f4e\u80fd\u8017\u8fd9\u4e24\u4e2a\u8981\u6c42\u3002\u8fd9\u5c31\u9700\u8981\u901a\u8fc7\u53d1\u73b0\u72c4\u62c9\u514b\u9891\u5e26\u8272\u6563\u6765\u5b9e\u73b0\u8d28\u91cf\u6781\u5c0f\u7684\u7535\u5b50\uff0c\u5e76\u901a\u8fc7\u4ea7\u751f\u5927\u91cf\u7684\u8d39\u7c73\u80fd\u7ea7\u9644\u8fd1\u7684\u81ea\u65cb\u6781\u5316\u6765\u5b9e\u73b0\u80fd\u8017\u6781\u4f4e\u7684\u81ea\u65cb\u4f20\u8f93\u3002<\/p>\n

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

\u8fd1\u65e5\uff0c\u6fb3\u5927\u5229\u4e9a<\/strong>\u6606\u58eb\u5170\u79d1\u6280\u5927\u5b66<\/strong>\u7684Aijun Du<\/strong>\u5728Phys. Rev. Lett.<\/strong>\u4e0a<\/strong>\u53d1\u8868\u4e86\u9898\u4e3a\u201cFirst-Principles Prediction of Spin-Polarized Multiple Dirac Rings in Manganese Fluoride<\/strong> \u201d\u7684\u6587\u7ae0\u3002\u5728\u8fd9\u7bc7\u6587\u7ae0\u4e2d\uff0c\u4f5c\u8005\u5229\u7528\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\uff0c\u5c06\u5df2\u901a\u8fc7\u5b9e\u9a8c\u5408\u6210\u7684\u6c1f\u5316\u9530\uff08MnF3<\/sub>\uff09\u4f5c\u4e3a\u65b0\u578b\u81ea\u65cb\u6781\u5316\u72c4\u62c9\u514b\u6750\u6599\u6765\u7814\u7a76\u3002MnF3<\/sub>\u5728\u4e00\u4e2a\u81ea\u65cb\u65b9\u5411\u4e2d\u8868\u73b0\u51fa\u591a\u4e2a\u72c4\u62c9\u514b\u9525\uff0c\u800c\u5728\u5176\u5b83\u81ea\u65cb\u901a\u9053\u4e0a\u4e0e\u5927\u7684\u5e26\u9699\u534a\u5bfc\u4f53\u76f8\u4f3c\u3002\u6bcf\u4e2a\u9525\u4f53\u7684\u9884\u6d4b\u8d39\u7c73\u901f\u5ea6\u4e0e\u77f3\u58a8\u70ef\u4e2d\u7684\u8d39\u7c73\u901f\u5ea6\u5728\u540c\u4e00\u6570\u91cf\u7ea7\u4e0a\u3002\u5176\u4e09\u7ef4\u5e26\u7ed3\u6784\u8fdb\u4e00\u6b65\u8868\u660e\u4e86MnF3<\/sub>\u5728\u5e03\u91cc\u6e0a\u533a\u5177\u6709\u72c4\u62c9\u514b\u8282\u70b9\u73af\u3002\u8fd9\u79cd\u81ea\u65cb\u6781\u5316\u591a\u91cd\u72c4\u62c9\u514b\u73af\u7279\u5f81\u9996\u5148\u5728\u5b9e\u9a8c\u5408\u6210\u7684\u6750\u6599\u4e2d\u88ab\u53d1\u73b0\u3002\u7d27\u63a5\u7740\uff0c\u5728\u5176\u5b83\u8fc7\u6e21\u91d1\u5c5e\u6c1f\u5316\u7269\uff08\u5982CoF3<\/sub>\u3001CrF3<\/sub>\u3001FeF3<\/sub>\uff09\u4e2d\u4e5f\u53ef\u4ee5\u53d1\u73b0\u7c7b\u4f3c\u7684\u5e26\u5206\u6563\u4f53\u3002\u5728\u8fd9\u9879\u5de5\u4f5c\u4e2d\uff0c\u4e3b\u8981\u7814\u7a76\u4e86\u4e00\u79cd\u65b0\u7684\u5355\u81ea\u65cb\u72c4\u62c9\u514b\u6750\u6599\uff0c\u6709\u671b\u5728\u81ea\u65cb\u7535\u5b50\u5b66\u548c\u4fe1\u606f\u6280\u672f\u65b9\u9762\u5f97\u5230\u6709\u6548\u7684\u5e94\u7528\u3002<\/p>\n

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

\u56fe\u4e00\uff1a<\/strong>MnF3<\/sub><\/strong>\u7684\u6676\u4f53\u7ed3\u6784\u548c\u78c1\u8377\u5bc6\u5ea6<\/strong><\/p>\n

\"\"<\/p>\n

(a) MnF3<\/sub>\u7684\u6676\u4f53\u7ed3\u6784\u3002<\/p>\n

(b) MnF3<\/sub>\u7684\u78c1\u8377\u5bc6\u5ea6\u3002<\/p>\n

\u56fe\u4e8c\uff1a<\/strong>\u4f7f\u7528<\/strong>PBE<\/strong>\u548c<\/strong>HSE06<\/strong>\u65b9\u6cd5\u8ba1\u7b97\u7684<\/strong>MnF3<\/sub><\/strong>\u7684\u80fd\u5e26\u7ed3\u6784<\/strong><\/p>\n

\"\"<\/p>\n

(a\u3001b) \u4f7f\u7528PBE\u65b9\u6cd5\u8ba1\u7b97\u7684MnF3<\/sub>\u7684\u80fd\u5e26\u7ed3\u6784\u3002(a)\u4e2d\u72c4\u62c9\u514b\u9525\u7531\u4e0d\u540c\u7684\u6570\u5b57\u533a\u5206\uff0c\u72c4\u62c9\u514b\u5f0f\u7684\u4ea4\u53c9\u70b9\u7531\u9ed1\u8272\u65b9\u5757\u6807\u51fa\u3002(b)\u4e2d\u63d2\u56fe\u8868\u793a\u5bf9\u5e94\u7684\u5e03\u91cc\u6e0a\u533a\u3002<\/p>\n

(c\u3001d) \u4f7f\u7528HSE06\u65b9\u6cd5\u8ba1\u7b97\u7684MnF3<\/sub>\u7684\u80fd\u5e26\u7ed3\u6784\u3002(c)\u4e2d\u793a\u51fa\u4e86\u5728\u9ad8\u5bf9\u79f0k\u70b9\u5904\u6240\u7814\u7a76\u80fd\u5e26\u7684\u4e0d\u53ef\u7ea6\u8868\u793a\uff0c\u4e24\u4e2a\u7279\u5b9a\u80fd\u5e26\u88ab\u6807\u8bb0\u4e3aLi<\/sub>\uff08i = 1,2\uff09\u3002\u8d39\u7c73\u80fd\u7ea7\u8bbe\u4e3a\u96f6\u3002<\/p>\n

\u56fe\u4e09\uff1a3D\u80fd\u5e26\u56fe<\/strong><\/p>\n

\"\"<\/p>\n

(a) M-K-\u0393\u5e73\u9762\u4e2dMnF3<\/sub>\u76843D\u80fd\u5e26\u56fe\u3002<\/p>\n

(b) VBM\u76843D\u80fd\u5e26\u89c6\u56fe\u53ca\u5176\u5bf9\u5e94\u7684\u6295\u5f71\u3002<\/p>\n

\u56fe\u56db\uff1aMnF3\u7684TDOS\u548cPDOS \u00a0<\/strong><\/p>\n

\"\"<\/a><\/p>\n

(a\u3001b) \u901a\u8fc7HSE06\u8ba1\u7b97\u5f97\u5230\uff0cMnF3\u7684TDOS\u548cPDOS\u3002<\/p>\n

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

\u8fd9\u7bc7\u6587\u7ae0\u4ecb\u7ecd\u4e86\u5728\u7535\u5b50\u7ed3\u6784\u4e2d\u663e\u793a\u51fa\u81ea\u65cb\u6781\u5316\u591a\u91cd\u72c4\u62c9\u514b\u9525\u6216\u73af\u7684\u5b9e\u9a8c\u5408\u6210\u6750\u6599\u7684\u9996\u4f8b\u3002MnF3<\/sub>\u67b6\u8d77\u4e86\u72c4\u62c9\u514b\u6750\u6599\u548c\u81ea\u65cb\u7535\u5b50\u5b66\u4e4b\u95f4\u7684\u6865\u6881\uff0c\u540c\u65f6\u5c55\u73b0\u4e86\u8bb8\u591a\u72ec\u7279\u7684\u6027\u80fd\uff0c\u5982\u591a\u4e2a\u72c4\u62c9\u514b\u73af\u3001\u5927\u81ea\u65cb\u6781\u5316\u548c\u9ad8\u8f7d\u6d41\u5b50\u8fc1\u79fb\u7387\u3002\u6b64\u5916\uff0cMnF3<\/sub>\u7684\u6027\u8d28\u662f\u6750\u6599\u56fa\u6709\u7684\uff0c\u4e0d\u9700\u8981\u4efb\u4f55\u5916\u90e8\u6761\u4ef6\u3002\u6b64\u6587\u7ae0\u62a5\u9053\u7684MnF3<\/sub>\u7ed3\u6784\u6ee1\u8db3\u9ad8\u6548\u81ea\u65cb\u7535\u5b50\u5b66\u7684\u8981\u6c42\uff0c\u5e76\u4e14MnF3<\/sub>\u4e2d\u81ea\u65cb\u6781\u5316\u7535\u5b50\u548c\u7a7a\u7a74\u7684\u901f\u5ea6\u5e94\u6bd4\u5148\u524d\u62a5\u9053\u7684\u81ea\u65cb\u7535\u5b50\u6750\u6599\u5feb\u5f97\u591a\u3002\u8fd9\u9879\u5de5\u4f5c\u6709\u671b\u4e3a\u81ea\u65cb\u6781\u5316\u72c4\u62c9\u514b\u6750\u6599\u5927\u5bb6\u65cf\u6dfb\u52a0\u65b0\u6210\u5458\uff0c\u540c\u65f6\u4fc3\u8fdb\u4e86\u81ea\u65cb\u7535\u5b50\u5b66\u7684\u53d1\u5c55\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1aFirst-Principles Prediction of Spin-Polarized Multiple Dirac Rings in Manganese Fluoride<\/a>\uff08Phys. Rev. Lett. 2017\uff0cDOI: 10.1103\/PhysRevLett.119.016403\uff09<\/p>\n

\u672c\u6587\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u8ba1\u7b97\u6750\u6599\u7ec4daoke\u4f9b\u7a3f\uff0c\u6750\u6599\u725b\u6574\u7406\u7f16\u8f91\u3002<\/p>\n

\u6750\u6599\u725b\u7f51\u4e13\u6ce8\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u53ca\u884c\u4e1a\u8fdb\u5c55\uff0c\u8fd9\u91cc\u6c47\u96c6\u4e86\u5404\u5927\u9ad8\u6821\u7855\u535a\u751f\u3001\u4e00\u7ebf\u79d1\u7814\u4eba\u5458\u4ee5\u53ca\u884c\u4e1a\u4ece\u4e1a\u8005\uff0c\u5982\u679c\u60a8\u5bf9\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u8fdb\u5c55\uff0c\u89e3\u8bfb\u9ad8\u6c34\u5e73\u6587\u7ae0\u6216\u662f\u8bc4\u8ff0\u884c\u4e1a\u6709\u5174\u8da3\uff0c\u70b9\u6211\u52a0\u5165\u6750\u6599\u4eba\u7f16\u8f91\u90e8<\/a>\u3002<\/p>\n

\u4eea\u5668\u8bbe\u5907\u3001\u8bd5\u5242\u8017\u6750\u3001\u6750\u6599\u6d4b\u8bd5\u3001\u6570\u636e\u5206\u6790\uff0c\u4e0a\u6d4b\u8bd5\u8c37!<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

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