{"id":265259,"date":"2025-03-02T07:28:22","date_gmt":"2025-03-01T23:28:22","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=265259"},"modified":"2025-02-28T22:31:56","modified_gmt":"2025-02-28T14:31:56","slug":"%e4%b8%ad%e5%b1%b1%e5%a4%a7%e5%ad%a6%e5%90%95%e6%a0%91%e7%94%b3-%e9%99%88%e6%a5%b7%e7%82%abphysical-review-b-%e4%ba%8c%e7%bb%b4v%e2%82%82o%e2%82%83%e6%9d%90%e6%96%99%e7%94%b5%e5%ad%90%e5%92%8c","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=265259","title":{"rendered":"\u4e2d\u5c71\u5927\u5b66\u5415\u6811\u7533\/\u9648\u6977\u70abPhysical Review B: \u4e8c\u7ef4V\u2082O\u2083\u6750\u6599\u7535\u5b50\u548c\u62d3\u6251\u6027\u8d28\u7684\u5806\u53e0\u6784\u578b\u8c03\u63a7"},"content":{"rendered":"

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 <\/p>\n

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 <\/p>\n

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 <\/p>\n

    \n
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     <\/p>\n

     <\/p>\n

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

      \u56fe3\uff1a AFM\u8026\u5408\u4e0b\u7684\u53cc\u5c42V2<\/sub>O3<\/sub>\u7cfb\u7edf\u3002\uff08a\uff09 AA\u548cAB\u5806\u53e0\u7cfb\u7edf\u7684\u53cd\u6f14\u4e2d\u5fc3\u3002\uff08b\uff09 AA\u548cAB\u5806\u53e0\u7cfb\u7edf\u7684\u6676\u683c\u5e73\u79fb\u64cd\u4f5c\u3002\uff08c\uff09\u4e8c\u7ef4\u5e03\u91cc\u6e0a\u533a\u548c\u76f8\u5e94\u7684\u9ad8\u5bf9\u79f0\u70b9\u3002\uff08d\uff09\u4e24\u4e2a\u81ea\u65cb\u6781\u5316\u65b9\u5411\u76f8\u53cd\u7684\u9648\u7edd\u7f18\u4f53\u5806\u53e0\u6784\u5efa\u7684\u4e8c\u7ef4AFM\u62d3\u6251\u7edd\u7f18\u4f53\u793a\u610f\u56fe\u3002\uff08e\uff09\u548c\uff08f\uff09\u5206\u522b\u663e\u793a\u4e86 AFM\u6001AA\u548cAB\u5806\u53e0\u7684\u80fd\u5e26\u7ed3\u6784\u3002\uff08g\uff09 \u6cbf\uff081,0,0\uff09\u8868\u9762\u7684AA\u5806\u53e0\u8fb9\u7f18\u6001\u3002\uff08h\uff09 AA\u5806\u53e0\u7684Wannier charge center\u7684\u6f14\u53d8\u3002<\/p>\n

       <\/p>\n

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      \"\"<\/p>\n

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       <\/p>\n

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      \"\"<\/p>\n

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       <\/p>\n

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      \"\"<\/p>\n

      \u5728\u8fd9\u4e2a\u6a21\u578b\u4e2d\uff0ci\u548cj\u8868\u793a\u78c1\u6027\u79bb\u5b50\uff0c Si\u548c Sj\u8868\u793aV\u79bb\u5b50\u7684\u81ea\u65cb\uff0c\u6839\u636eHund\u89c4\u5219\uff0cS = 1\u3002\u5171\u5305\u542b\u5c42\u5185\u548c\u5c42\u95f4\u7684\u6700\u8fd1\u90bb\uff08NN\uff09\u548c\u6700\u8fd1\u90bb\uff08NNN\uff09\u76f8\u4e92\u4f5c\u7528\u3002\u8fd9\u4e9b\u4ea4\u6362\u76f8\u4e92\u4f5c\u7528\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\u51b3\u5b9a\u4e86\u53cc\u5c42V2<\/sub>O3<\/sub>\u7cfb\u7edf\u7684\u6574\u4f53\u78c1\u57fa\u6001\u3002<\/p>\n

      \"\"<\/p>\n

      \u8868\uff1aAA\/AB\u5806\u53e0V2<\/sub>O3<\/sub>\u7684\u4ea4\u6362\u5e38\u6570\uff08meV\uff09\u5728\u4e0d\u540c\u6d4b\u8bd5\u6cdb\u51fd\u4e0b\u7684\u503c\u548c\u76f8\u5e94\u7684\u76f8\u4e92\u4f5c\u7528\u8ddd\u79bb\u3002<\/p>\n

       <\/p>\n

      \u5bf9\u4e8e\u5c42\u5185\u4ea4\u6362\u8026\u5408\u4f5c\u7528\uff0cAA\u548cAB\u5806\u53e0\u5728\u5c42\u5185\u90fd\u8868\u73b0\u51faFM\u884c\u4e3a\uff0c\u8fd9\u4e3b\u8981\u662f\u7531\u4e8e\u76f8\u5bf9\u5f3a\u7684\u4ea4\u6362\u5e38\u6570JIntra1<\/sub>\u7684\u4f18\u52bf\u3002\u5728\u6570\u503c\u4e0a\uff0cJIntra1<\/sub>\u5728\u6240\u6709\u56db\u4e2a\u6d4b\u8bd5\u7684\u6cdb\u51fd\u4e2d\u6bd4JIntra2<\/sub>\u5927\u51e0\u81f3\u5341\u500d\uff0c\u4e14\u4e3a\u6b63\u503c\uff1b\u800c\u5c42\u95f4\u7684\u4ea4\u6362\u8026\u5408\u4f5c\u7528\u7531\u5c42\u95f4\u7684\u76f4\u63a5\u4ea4\u6362\u4f5c\u7528\u4ecb\u5bfc\uff0c\u76f8\u5e94\u7684Jinter1<\/sub>\u4e3a\u8d1f\u503c\u3002<\/p>\n

       <\/p>\n

      \u3010\u7ed3\u8bba\u3011<\/p>\n

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