{"id":41690,"date":"2016-09-24T06:30:55","date_gmt":"2016-09-23T22:30:55","guid":{"rendered":"\/\/m.iemloyee.com\/?p=41690"},"modified":"2016-09-23T19:25:46","modified_gmt":"2016-09-23T11:25:46","slug":"%e9%a1%b6%e5%88%8a%e5%bf%ab%e8%ae%af-%e8%ae%a1%e7%ae%97%e6%9d%90%e6%96%99%e5%89%8d%e6%b2%bf%e6%9c%80%e6%96%b0%e5%ad%a6%e6%9c%af%e8%bf%9b%e5%b1%95%e7%b2%be%e9%80%89%e3%80%90%e7%ac%ac12%e6%9c%9f","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=41690","title":{"rendered":"\u9876\u520a\u5feb\u8baf | \u8ba1\u7b97\u6750\u6599\u524d\u6cbf\u6700\u65b0\u5b66\u672f\u8fdb\u5c55\u7cbe\u9009\u3010\u7b2c12\u671f\u3011"},"content":{"rendered":"

1\u3001\u77f3\u58a8\u70ef\u7eb3\u7c73\u6761\u5e26\uff1a\u5e73\u9762\u5468\u671f\u6027\u6392\u5217\u7684\u77f3\u58a8\u70ef\u7eb3\u7c73\u6761\u5e26\u7684\u7b49\u79bb\u5b50\u6a21\u5f0f<\/strong><\/p>\n

Plasmon Modes of Graphene Nanoribbons with Periodic Planar Arrangements<\/a>\uff08PRL\uff0c2016\uff0cDOI: 10.1103\/PhysRevLett.117.116801\uff09<\/p>\n

\"1\"<\/p>\n

\u56fe1<\/strong> \u77f3\u58a8\u70ef\u7eb3\u7c73\u6761\u5e26\u7684\u4ecb\u7535\u54cd\u5e94\u548c\u7b49\u79bb\u5b50\u5206\u6563<\/p>\n

\u610f\u5927\u5229\u5361\u62c9\u5e03\u91cc\u4e9a\u5927\u5b66\u7684\u79d1\u5b66\u5bb6A. Sindona\uff08\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba\u901a\u8fc7\u4ece\u5934\u7b97\u65b9\u6cd5\u7814\u7a76\u4e86\u4ece\u4f4e\u9891\u7387\u592a\u8d6b\u5179\u5230\u7d2b\u5916\u7ebf\u4e0b\u7684\u5e73\u9762\u5468\u671f\u6027\u6392\u5217\u7684\u77f3\u58a8\u70ef\u7eb3\u7c73\u6761\u5e26\u7684\u7b49\u79bb\u5b50\u6fc0\u53d1\u53ca\u4ecb\u7535\u6027\u8d28\u3002\u7814\u7a76\u8ba1\u7b97\u8868\u660e\u901a\u8fc7\u5316\u5b66\u63ba\u6742\u3001\u7535\u5b50\u95e8\u63a7\u548c\u51e0\u4f55\u7ed3\u6784\u7684\u8c03\u8282\u53ef\u80fd\u53ef\u4ee5\u6784\u5efa\u51fa\u7b49\u79bb\u5b50\u5171\u632f\u7684\u65b0\u6750\u6599\uff0c\u8fd9\u79cd\u6750\u6599\u5728\u4f4e\u9891\u7387\u592a\u8d6b\u5179\u5230\u7d2b\u5916\u7ebf\u533a\u57df\u53ef\u4ee5\u81ea\u7531\u7684\u8c03\u63a7\u3002<\/p>\n

\u6587\uff1a\u6768\u91d1\u8363<\/p>\n

2\u3001\u62d3\u6251\u7edd\u7f18\u4f53\uff1a\u62d3\u6251\u7edd\u7f18\u4f53Bi2Se3\u7684\u5185\u90e8\u7f3a\u9677<\/strong><\/p>\n

Toward the Intrinsic Limit of the Topological Insulator Bi2Se3<\/a>\uff08PRL\uff0c2016\uff0cDOI: 10.1103\/PhysRevLett.117.106401\uff09<\/p>\n

\"2\"<\/p>\n

\u56fe2<\/strong> Bi2Se3\u7684(001)\u6676\u9762\u7684\u626b\u63cf\u96a7\u9053\u663e\u5fae\u955c\u56fe\u4ee5\u53ca\u76f8\u5e94\u7684\u51e0\u4f55\u7ed3\u6784<\/p>\n

\u7f8e\u56fd\u7f57\u683c\u65af\u5927\u5b66 Weida Wu\uff08\u901a\u8baf\u4f5c\u8005\uff09\u548c\u4f26\u65af\u52d2\u7406\u5de5\u5b66\u9662Damien West\uff08\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba\u7ed3\u5408\u9ad8\u5206\u8fa8\u7387\u626b\u63cf\u96a7\u9053\u663e\u5fae\u955c\u548c\u7b2c\u4e00\u539f\u7406\u8ba1\u7b97\u53d1\u73b0\u4e86\u5355\u6676\u539f\u578b\u62d3\u6251\u7edd\u7f18\u4f53Bi2Se3\u5185\u7684\u4e3b\u8981\u672c\u5f81\u7f3a\u9677\u662f\u7852\u7a7a\u4f4d\u548c\u7852\u95f4\u9699\u7f3a\u9677\uff0c\u8fd9\u4e9b\u7f3a\u9677\u51b3\u5b9a\u4e86\u5176\u6676\u4f53\u4f20\u5bfc\u548c\u7535\u4f4d\u53d8\u52a8\u3002\u7814\u7a76\u7ed3\u679c\u8bf4\u660e\u901a\u8fc7\u4e25\u683c\u63a7\u5236\u6676\u4f53\u7684\u5316\u5b66\u8ba1\u91cf\u548c\u5408\u6210\u8fc7\u7a0b\u4e2d\u7684\u7f3a\u9677\u5c31\u53ef\u4ee5\u5408\u6210\u9ad8\u8d28\u91cf\u7684\u5355\u6676\uff0c\u5e76\u4e14\u8fd9\u79cd\u5355\u6676\u6750\u6599\u9644\u5e26\u5f88\u4f4e\u7684\u7f3a\u9677\u5bc6\u5ea6\u548c\u5f88\u4f4e\u7684\u7535\u4f4d\u6270\u52a8\u3002<\/p>\n

\u6587\uff1a\u6768\u91d1\u8363<\/p>\n

3\u3001\u7edf\u8ba1\u8bef\u5dee\uff1a\u56fa\u76f8\u6269\u6563\u4e2d\u6cca\u677e\u8fc7\u7a0b\u6a21\u62df\u7684\u7edf\u8ba1\u8bef\u5dee<\/strong><\/p>\n

Statistical error in simulations of Poisson processes: Example of diffusion in solids<\/a>
\n\uff08PRB, 2016, DOI: 10.1103\/PhysRevB.94.085206\uff09
\n\"3\"<\/p>\n

\u56fe3<\/strong> \u4e3aNEMD\u6a21\u578b\u4e2d\u529bFext\u4e0e\u5e73\u5747\u7b49\u5f85\u65f6\u95f4\u00af\u03c4\u7684\u5173\u7cfb\u56fe<\/p>\n

\u745e\u5178\u7687\u5bb6\u7406\u5de5\u5b66\u9662\u7684Johan O. Nilsson\uff08\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba\u5728\u56fa\u76f8\u6269\u6563\u6a21\u62df\u4e2d\u7528\u7edf\u8ba1\u8bef\u5dee\u7684\u5206\u6790\u8868\u8fbe\u5f0f\u83b7\u5f97\u79bb\u5b50\u5bfc\u7535\u7387\u3002\u867d\u7136\u73b0\u5728\u4efb\u4f55\u4e00\u79cd\u6570\u503c\u7406\u8bba\u90fd\u6ca1\u8003\u8651\u8bef\u5dee\uff0c\u4f46\u4e00\u822c\u60c5\u51b5\u4e0b\uff0c\u6cca\u677e\u8fc7\u7a0b\u7684\u6a21\u62df\u8fd8\u7b97\u6b63\u786e\u3002\u5728Gd\u6742\u8d28\u7684\u6c27\u5316\u94c8\u4e2d\uff0c\u901a\u8fc7\u5927\u91cf\u52a8\u529b\u5b66\u8499\u7279\u5361\u7f57\u8ba1\u7b97\uff0c\u4ece\u6570\u5b66\u4e0a\u9a8c\u8bc1\u4e86\u5206\u6790\u8bef\u5dee\u7684\u5b58\u5728\u3002<\/p>\n

\u6587\uff1a\u5927\u767d<\/p>\n

4\u3001\u91d1\u5c5e-\u7edd\u7f18\u4f53\u8f6c\u53d8\uff1a\u5316\u5408\u7269\u534a\u5bfc\u4f53\u8868\u9762\u51c6\u4e00\u7ef4\u91d1\u5c5e-\u7edd\u7f18\u4f53\u8f6c\u53d8\u8fc7\u7a0b<\/strong><\/p>\n

Quasi-One-Dimensional Metal-Insulator Transitions in Compound Semiconductor Surfaces<\/a> \uff08PRB, 2016, DOI: 10.1103\/Phys Rev Lett.117.116101\uff09<\/p>\n

\"4\"<\/p>\n

\u56fe4<\/strong> \u4e3aGa N-1H\u548cGa N-1Li\u7684\u677f\u72b6\u7ed3\u6784\u3002<\/p>\n

\u5357\u65b9\u79d1\u6280\u5927\u5b66\u7684H. Xu\u548cS.Y. Tong\uff08\u5171\u540c\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba\u63d0\u51fa\u4e86\u4e00\u79cd\u5728\u7ea4\u950c\u77ff\u578b\u4e2d\u91d1\u5c5e\u9634\u79bb\u5b50\u7684\uff0810\u00af10\uff09\u8868\u9762\u65b0\u7684\u6d3e\u5c14\u65af\u7cfb\u7edf\uff0c\u5f53\u9634\u79bb\u5b50\u4e0e\u6c22\u6216\u9502\u539f\u5b50\u7ed3\u5408\u65f6\uff0c\u53ef\u5f97\u5230\u5355\u539f\u5b50\u91d1\u5c5e\u7ed3\u6784\u5177\u67093\u4e2a\u914d\u4f4d\u6570\u7684\u91d1\u5c5e\u539f\u5b50\uff1b\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u8868\u660e\uff0c\u5176\u8868\u9762\u4e3a\u91d1\u5c5e\u8868\u9762\uff0c\u4f46\u4f4e\u4e8e\u67d0\u4e00\u4e34\u754c\u6e29\u5ea6\u65f6\u4f1a\u51dd\u7ed3\u6210\u534a\u5bfc\u4f53\uff1b\u5f15\u5165\u8868\u9762\u811a\u624b\u67b6\u6982\u5ff5\u5c06\u5176\u8868\u9762\u7684\u8fd0\u52a8\u9650\u5236\u4e8e\u4e0a\u4e0b\u8fd0\u52a8\u6216\u4fa7\u5411\u79fb\u52a8\uff0c\u4ece\u800c\u8bc1\u5b9e\u4e86\u6d3e\u5c14\u65af\u7684\u5047\u8bbe\u3002\u540c\u65f6\u8fd8\u9884\u6d4b\u4e86\u8fd9\u7c7b\u7edd\u7f18\u4f53\u5b58\u5728\u4e8e\u4e00\u4e9b\u90e8\u5206\u6c22\u5316\u7684\u591a\u7ea4\u7ef4\u950c\u77ff\u5316\u5408\u7269\uff0810\u00af10\uff09\u8868\u9762\u3002<\/p>\n

\u6587\uff1a\u5927\u767d<\/p>\n

5\u3001\u51c6\u4e00\u7ef4\u81ea\u65cb: \u00bd\u78c1\u4f53Ba3Cu3Sc4O12\u4e2d\u8f68\u9053\u6742\u5316\u548c\u81ea\u65cb\u8f68\u9053\u6548\u5e94<\/strong><\/p>\n

Hybridization and spin-orbit coupling effects in the quasi-one-dimensional spin-\u00bd magnet Ba3Cu3Sc4O12\u00a0<\/a> \uff08PRB , 2016, DOI:10.1103\/PhysRevB.94.054435\uff09<\/p>\n

\"5\"<\/p>\n

\u56fe5<\/strong> (a) Ba3Cu3Sc4O12\u7684\u6676\u4f53\u7ed3\u6784\uff0c(b)-(d) Ba3Cu3Sc4O12\u7684\u4e09\u79cd\u53ef\u80fd\u57fa\u6001\u78c1\u6784\u578b\u3002<\/p>\n

\u4fc4\u7f57\u65af\u4e4c\u62c9\u5c14\u8054\u90a6\u5927\u5b66\u7684D. I. Badrtdinov\uff08\u7b2c\u4e00\u4f5c\u8005\uff09\u53ca\u5176\u5408\u4f5c\u8005\u5728\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u7684\u57fa\u7840\u4e0a\u6784\u9020\u51fa\u6709\u6548\u4f4e\u80fd\u91cf\u54c8\u5bc6\u987f\u91cf\u6a21\u578b\uff0c\u5e76\u7814\u7a76\u4e86\u51c6\u4e00\u7ef4\u81ea\u65cb1\/2\u78c1\u4f53Ba3Cu3Sc4O12\u4e2d\u7684\u81ea\u65cb\u8f68\u9053\u4f5c\u7528\u4ee5\u53ca\u7535\u5b50\u7ed3\u6784\u548c\u78c1\u6027\u3002\u5728\u6b64\u57fa\u7840\u4e0a\uff0c\u9488\u5bf9Ba3Cu3Sc4O12\u63a8\u5bfc\u51fa\u4e86\u5305\u542b\u8003\u8651\u5bf9\u79f0\u548c\u975e\u5bf9\u79f0\u5404\u5411\u5f02\u6027\u4ea4\u6362\u4f5c\u7528\u7684\u5b8c\u5907\u5fae\u89c2\u78c1\u6027\u6a21\u578b\u3002\u5404\u5411\u5f02\u6027\u4ea4\u6362\u4f5c\u7528\u662f\u901a\u8fc7\u7ed3\u5408\u8003\u8651\u4e86\u81ea\u65cb\u8026\u5408\u4f5c\u7528\u7684\u5c40\u57df\u5bc6\u5ea6\u8fd1\u4f3c\u548cMoriya\u78c1\u6027\u5fae\u89c2\u7406\u8bba\u7684\u6295\u5f71\u6b65\u9aa4\u6765\u8ba1\u7b97\u5f97\u5230\u7684\u3002\u8ba1\u7b97\u6240\u5f97\u5230\u7684\u5bf9\u79f0\u5404\u5411\u5f02\u6027\u5f20\u91cf\u4f7f\u5f97\u539f\u5b50\u5728\u6cbf\u7740\u94fe\u5f0f\u7ed3\u6784\u65b9\u5411\u4e0a\u8d8b\u5411\u4e8e\u5171\u7ebf\u78c1\u5e8f\uff0c\u94c1\u78c1\u8026\u5408\u4f5c\u7528\u5e38\u6570J1 \u2243 \u22129.88 meV\uff0c\u539f\u5b50\u94fe\u4e4b\u95f4\u5448\u53cd\u94c1\u78c1\u5e8f\uff0c\u8026\u5408\u4f5c\u7528\u5e38\u6570\u4e3aJ8 \u2243 0.21\u548cJ5 \u2243 0.093 meV\u3002\u57fa\u4e8e\u4ed6\u4eec\u63d0\u51fa\u7684\u78c1\u5e8f\u7ed3\u6784\u6a21\u578b\uff0c\u91cf\u5b50\u8499\u7279\u5361\u6a21\u62df\u5f88\u597d\u5730\u91cd\u590dNeel\u6e29\u5ea6\u3001\u78c1\u5316\u5f3a\u5ea6\u548c\u78c1\u5316\u7387\u7684\u5b9e\u9a8c\u7ed3\u679c\u3002\u5bf9\u4e2d\u5b50\u6563\u5c04\u6570\u636e\u7684\u5206\u6790\u63ed\u793a\u4e86\u5171\u4ef7\u6027Cu-O\u5316\u5b66\u952e\u5bf9Ba3Cu3Sc4O12\u7684\u7269\u6027\u8d77\u975e\u5e38\u91cd\u8981\u7684\u4f5c\u7528\u3002<\/p>\n

\u6587: nanogold<\/p>\n

6\u3001\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff1a\u9ad8\u901a\u91cf\u6750\u6599\u8ba1\u7b97\u53d1\u73b0\u7a33\u5b9a\u7684\u65b0M2AX\u7ed3\u6784\u76f8<\/strong><\/p>\n

Computational discovery of stable M2AX phases\u00a0<\/a> \uff08PRB , 2016, DOI: 10.1103\/PhysRevB.94.054116\uff09<\/p>\n

\"6\"<\/p>\n

\u56fe6<\/strong> (MM\u2032)2(AA\u2032)(CN) \u5316\u5408\u7269\u7684\u516d\u79cd\u72ec\u7279\u7ed3\u6784\u6a21\u578b<\/p>\n

\u7f8e\u56fd\u4f5b\u7f57\u91cc\u8fbe\u5927\u5b66Richard G. Hennig\uff08\u7b2c\u4e00\u4f5c\u8005\uff09\u7b49\u4eba\u91c7\u7528\u57fa\u4e8e\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u7684\u9ad8\u901a\u91cf\u8ba1\u7b97\u786e\u5b9a\u4e86\u5927\u91cf\u7a33\u5b9a\u7684Mn+1AXn\u5316\u5408\u7269(n = 1, M = Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, Ta; A = Al, Si, P, S, Ga, Ge, As, Cd, In, Sn, Tl, Pb; \u548cX = C, N)\u3002\u4ed6\u4eec\u8ba1\u7b97\u4e86216\u79cdM2AX\u7eaf\u5316\u5408\u7269\u548c10314\u79cd(MM\u2032)2(AA\u2032)(XX\u2032)\u56fa\u6eb6\u76f8\u7684\u5f62\u6210\u80fd\u3002\u4ed6\u4eec\u7684\u8ba1\u7b97\u7ed3\u679c\u663e\u793a\uff0c39\u5b9e\u9a8c\u5df2\u77e5\u5316\u5408\u7269\u7684\u5f62\u6210\u80fd\u5c0f\u4e8e30 meV\/atom\u3002\u5728\u6240\u8ba1\u7b97\u768410530\u79cd\u7ec4\u5206\u4e2d\uff0c3140\u79cd\u7ec4\u5206\u7684\u5f62\u6210\u80fd\u5c0f\u4e8e30 meV\/atom\uff0c\u5927\u90e8\u5206\u5b83\u4eec\u8fd8\u6709\u5f85\u5b9e\u9a8c\u4e0a\u88ab\u5408\u6210\u51fa\u3002\u91cd\u8981\u7684\u662f\uff0c301\u79cd\u7ec4\u5206\u5177\u6709\u5f88\u5f3a\u7684\u70ed\u7a33\u5b9a\u6027\uff0c\u5f62\u6210\u80fd\u4e3a\u8d1f\u4e14\u8d85\u8fc7100 meV\/atom\uff0c\u610f\u5473\u8005\u5b83\u4eec\u5f88\u5bb9\u6613\u88ab\u5408\u6210\u3002\u53e6\u5916\uff0c\u4ed6\u4eec\u4e5f\u786e\u5b9a\u4e86M2AX\u5316\u5408\u7269\u7a33\u5b9a\u6027\u7684\u534a\u7ecf\u9a8c\u89c4\u5219\u3002\u8fd9\u4e9b\u7ed3\u679c\u4e3a\u5408\u6210\u4e0d\u540cM2AX\u5316\u5408\u7269\u7684\u5b9e\u9a8c\u8bbe\u8ba1\u63d0\u4f9b\u4e86\u7406\u8bba\u7684\u6307\u5bfc\u539f\u5219\u3002<\/p>\n

\u6587: nanogold<\/p>\n

7\u3001\u6750\u6599\u529b\u5b66\uff1a\u5316\u5b66\u5b98\u80fd\u56e2\u5bf9\u4e8c\u7ef4\u5c42\u72b6\u6750\u6599\u949b\u78b3\u5316\u5408\u7269\u7a33\u5b9a\u6027\u548c\u529b\u5b66\u5f3a\u5ea6\u7684\u5f71\u54cd<\/strong><\/p>\n

Stabilization and strengthening effects of functional groups in two-dimensional titanium carbide <\/a>\uff08PRB, 2016, DOI: 10.1103\/PhysRevB.94.104103\uff09<\/p>\n

\"7\"<\/p>\n

\u56fe7<\/strong> \u5355\u5c42Ti3C2T2\u7684\u5e94\u529b-\u5e94\u53d8\u54cd\u5e94\u66f2\u7ebf<\/p>\n

\u5317\u4eac\u822a\u7a7a\u822a\u5929\u5927\u5b66\u5f20\u5343\u5e06\uff08\u901a\u8baf\u4f5c\u8005\uff09\u548c\u5f20\u745e\u4e30\uff08\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba\u901a\u8fc7\u91c7\u7528\u57fa\u4e8e\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u7684\u8ba1\u7b97\u65b9\u6cd5\u7cfb\u7edf\u5730\u7814\u7a76\u4e86\u4e0d\u540c\u5316\u5b66\u5b98\u80fd\u56e2\u5bf9\u4e00\u79cd\u4ee3\u8868\u6027MXene\u5316\u5408\u7269Ti3C2\u7a33\u5b9a\u6027\u3001\u529b\u5b66\u6027\u8d28\u548c\u7535\u5b50\u7ed3\u6784\u7684\u5f71\u54cd\u3002\u4ed6\u4eec\u7684\u8ba1\u7b97\u7ed3\u679c\u8868\u660e\uff0c\u6c27\u539f\u5b50\u4e0e\u5176\u4ed6\u5b98\u80fd\u56e2\u76f8\u6bd4\uff0c\u5728Ti3C2\u8fd9\u79cd\u5355\u5c42\u4e8c\u7ef4\u7ed3\u6784\u6750\u6599\u4e0a\u5438\u9644\u80fd\u6700\u5927\uff0c\u80fd\u589e\u52a0MXene\u5316\u5408\u7269Ti3C2\u7684\u7a33\u5b9a\u6027\u3002\u53e6\u5916\uff0c\u6c27\u7684\u5438\u9644\u4e5f\u80fd\u5927\u5927\u63d0\u9ad8Ti3C2\u7684\u7406\u60f3\u62c9\u4f38\u5f3a\u5ea6\u3002\u4ed6\u4eec\u4ece\u7535\u5b50\u7ed3\u6784\u4e0a\u63ed\u793a\uff0c\u7531\u6c27\u5b98\u80fd\u56e2\u5f15\u5165\u6240\u5bfc\u81f4\u7684\u589e\u5f3a\u6548\u5e94\uff0c\u4e3b\u8981\u662f\u56e0\u4e3aTi3C2\u5728\u8868\u9762\u4fee\u9970\u4e4b\u540e\uff0c\u5185\u90e8\u539f\u5b50\u5c42Ti-C\u5316\u5b66\u952e\u4e0a\u7535\u8377\u5bc6\u5ea6\u4f1a\u5411\u8868\u9762\u7684Ti-O\u5316\u5b66\u952e\u8f6c\u79fb\u3002\u8fd9\u4e9b\u8ba1\u7b97\u7ed3\u679c\u4e3a\u62d3\u5c55MXene\u5316\u5408\u7269\u5728\u53ef\u67d4\u6027\u7535\u5b50\u5668\u4ef6\u548c\u80fd\u91cf\u50a8\u5b58\u5668\u4ef6\u65b9\u9762\u7684\u6f5c\u5728\u5e94\u7528\u63d0\u4f9b\u4e86\u65b0\u89c2\u70b9\u3002<\/p>\n

\u6587: nanogold<\/p>\n

8\u3001\u6676\u4f53\u7f3a\u9677\uff1a\u57fa\u4e8e\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u7684\u7535\u5b50\u7ed3\u6784\u8ba1\u7b97\u7814\u7a76\u91d1\u521a\u77f3\u4e2d\u6c27\u7f3a\u9677<\/strong><\/p>\n

Characterization of oxygen defects in diamond by means of density functional theory calculations <\/a>\uff08PRB, 2016, DOI: 10.1103\/PhysRevB.94.125202\uff09<\/p>\n

\"8\"<\/p>\n

\u56fe8<\/strong> \u91d1\u521a\u77f3\u4e2d\u6c27\u66ff\u4f4d\u548c\u78b3\u7a7a\u4f4d\u5f62\u6210\u7684\u590d\u5408\u7f3a\u9677OV\u5728\u4e0d\u540c\u7535\u8377\u6001\u65f6\u7684Kohn-Sham (KS)(a)\u8f68\u9053\u548c(b)\u80fd\u7ea7\u56fe<\/p>\n

\u4eba\u5de5\u91d1\u521a\u77f3\u751f\u957f\u8fc7\u7a0b\u4e2d\u5f88\u96be\u907f\u514d\u6c27\u6c61\u67d3\uff0c\u6c27\u539f\u5b50\u7684\u5d4c\u5165\u53ef\u80fd\u5bfc\u81f4\u91d1\u521a\u77f3\u91cc\u5f62\u6210\u5404\u79cd\u4e0e\u6c27\u76f8\u5173\u7684\u70b9\u7f3a\u9677\uff0c\u8fd9\u4e9b\u7f3a\u9677\u7684\u672c\u8d28\u4ee5\u53ca\u5bf9\u91d1\u521a\u77f3\u63d0\u4f9b\u91cf\u5b50\u6bd4\u7279\u7684\u5f71\u54cd\u8fd8\u6709\u5f85\u7814\u7a76\u3002\u5308\u7259\u5229\u79d1\u5b66\u9662\u548c\u5e03\u8fbe\u4f69\u65af\u6280\u672f\u4e0e\u7ecf\u6d4e\u5927\u5b66\u7684Gerg\u0151 Thiering\uff08\u7b2c\u4e00\u4f5c\u8005\uff09\u7b49\u4eba\u901a\u8fc7\u91c7\u7528\u57fa\u4e8e\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u7684\u8ba1\u7b97\u65b9\u6cd5\u7814\u7a76\u4e86\u91d1\u521a\u77f3\u91cc\u5404\u79cd\u4e0e\u6c27\u76f8\u5173\u7684\u70b9\u7f3a\u9677\uff08\u5305\u62ec\u4e86\u95f4\u9699\u6c27\u7f3a\u9677\u3001\u66ff\u4f4d\u6c27\u7f3a\u9677\u3001\u66ff\u4f4d\u6c27-\u78b3\u7a7a\u4f4d\u590d\u5408\u7f3a\u9677\u548c\u66ff\u4f4d\u6c27-\u78b3\u7a7a\u4f4d-\u95f4\u9699\u6c22\u590d\u5408\u7f3a\u9677\uff09\u7684\u70ed\u529b\u5b66\u7a33\u5b9a\u6027\u3001\u7535\u5b50\u7ed3\u6784\u548c\u78c1\u5149\u6027\u8d28\u3002\u4ed6\u4eec\u53d1\u73b0\uff0c\u91d1\u521a\u77f3\u4e2d\u4e0e\u6c27\u76f8\u5173\u7f3a\u9677\u7684\u7535\u6c14\u6027\u8d28\u975e\u5e38\u6d3b\u8dc3\u800c\u5f15\u5165\u5177\u6709\u9ad8\u5ea6\u5173\u8054\u6027\u7684\u7684\u8f68\u9053\uff0c\u8fd9\u5bf9\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u7684\u8ba1\u7b97\u6a21\u62df\u6765\u8bf4\u662f\u5f88\u5927\u7684\u6311\u6218\u3002\u5c3d\u7ba1\u5982\u6b64\uff0c\u4ed6\u4eec\u8fd8\u662f\u80fd\u786e\u5b9a\u66ff\u4f4d\u6c27\u70b9\u7f3a\u9677\u3001\u66ff\u4f4d\u6c27-\u78b3\u7a7a\u4f4d\u590d\u5408\u7f3a\u9677\u548c\u66ff\u4f4d\u6c27-\u7a7a\u4f4d\u78b3-\u95f4\u9699\u6c22\u590d\u5408\u7f3a\u9677\u5728\u7535\u5b50\u987a\u78c1\u5171\u632f\u8c31\u7684\u9274\u522b\u7279\u5f81\u3002\u4ed6\u4eec\u4e5f\u9884\u6d4b\u4e86\u8fd9\u4e9b\u7f3a\u9677\u7684\u7535\u5b50\u987a\u78c1\u5171\u632f\u8c31\u91cc\u7684\u52a8\u6001\u5e73\u5747\u662f\u53d7Jahn-Teller\u7578\u53d8\u6240\u9650\u5236\u7684\uff0c\u9ad8\u81ea\u65cb\u6001\u548c\u4e2d\u6027\u6001\u7684\u6c27\u66ff\u4f4d-\u78b3\u7a7a\u4f4d\u5728\u5149\u6fc0\u53d1\u65f6\u5448\u73b0\u4e86\u975e\u5e38\u5feb\u7684\u975e\u8f90\u5c04\u8870\u8d25\uff0c\u8fd9\u53ef\u80fd\u963b\u788d\u91d1\u521a\u77f3\u70b9\u7f3a\u9677\u63d0\u4f9b\u91cf\u5b50\u6bd4\u7279\u3002<\/p>\n

\u6587: nanogold<\/p>\n

9\u3001\u4ece\u5934\u8ba1\u7b97\uff1aC3N4\u5728\u9ad8\u538b\u4e0b\u7684\u4e00\u79cd\u65b0\u5bc6\u5806\u79ef\u7684\u6676\u4f53\u7ed3\u6784<\/strong><\/p>\n

Carbon nitride frameworks and dense crystalline polymorphs <\/a>\uff08PRB, 2016, DOI:\u00a010.1103\/PhysRevB.94.094104\uff09<\/p>\n

\"9\"<\/p>\n

\u56fe9 <\/strong>\u7531PBE\u6cdb\u51fd\u8ba1\u7b97\u5f97\u5230\u7684C3N4\u7113-\u538b\u5f3a\u5173\u7cfb\u66f2\u7ebf<\/p>\n

\u82f1\u56fd\u4f26\u6566\u5927\u5b66\u5b66\u9662C.J.Pickard\uff08\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba\u91c7\u7528\u4ece\u5934\u8ba1\u7b97\u968f\u673a\u641c\u7d22\u7b97\u6cd5\u7814\u7a76\u4e86\u78b3-\u6c2e\u5316\u5408\u7269C3N4\u5728\u968f\u538b\u5f3a\u589e\u52a0\u65f6\u4e0d\u540c\u6676\u4f53\u7ed3\u6784\u7684\u7a33\u5b9a\u6027\u3002\u4ed6\u4eec\u8ba1\u7b97\u9884\u6d4b\u4e86C3N4\u5b58\u5728\u4e00\u79cd\u65b0\u6846\u67b6\u7ed3\u6784\u7684\u6676\u578b\uff0c\u8be5\u7a33\u5b9a\u7ed3\u6784\u7684\u7a7a\u95f4\u7fa4\u4e3aP43212\uff0c\u5177\u6709\u624b\u6027\u5bf9\u79f0\u4e14\u6df7\u6709sp2\u548csp3\u5316\u5b66\u952e\u3002\u4ed6\u4eec\u4e5f\u901a\u8fc7\u5b9e\u9a8c\u624b\u6bb5\u5408\u6210\u51fa\u4e86\u8be5\u7ed3\u6784\u7684C3N4\uff0c\u89c2\u6d4b\u5230\u5b83\u5728\u5ba4\u6e29\u6761\u4ef6\u4e0b\u4e5f\u662f\u7a33\u5b9a\u7684\u3002\u968f\u7740\u538b\u5f3a\u7684\u589e\u52a0\uff0c\u8be5\u7ed3\u6784\u4f1a\u8f6c\u5316\u4e3a\u4e00\u79cd\u7a7a\u95f4\u7fa4\u4e3aPnma\u7684\u5bc6\u5806\u79ef\u76f8\uff0c\u6b64\u9ad8\u538b\u76f8\u91ccC\u539f\u5b50\u5168\u90e8\u5448\u73b0sp3\u952e\u7ed3\u5408\uff0cN\u539f\u5b50\u4e3a3\u5ea6\u914d\u4f4d\u3002\u5f53\u538b\u5f3a\u8d85\u8fc7650 GPa\u540e\uff0cC3N4\u4f1a\u4e0d\u7a33\u5b9a\u800c\u5206\u89e3\u4e3a\u91d1\u521a\u77f3\u548c\u9ec4\u94c1\u77ff\u7ed3\u6784\u7684CN2\u3002<\/p>\n

\u6587: nanogold<\/p>\n

10\u3001\u4ece\u5934\u8ba1\u7b97\u9884\u6d4b\uff1aBN-Si\u4e8c\u7ef4\u7eb3\u7c73\u7ed3\u6784\u6750\u6599\u7684\u7a33\u5b9a\u6027<\/strong><\/p>\n

Stability of two-dimensional BN-Si structures <\/a>\uff08PRB, 2016, DOI: 10.1103\/PhysRevB.94.094105\uff09<\/p>\n

\"10\"<\/p>\n

\u56fe10<\/strong> \u7531BN-Si\u5f62\u6210\u7684\u51e0\u79cd\u7a33\u5b9a\u6027\u76f8\u5bf9\u9ad8\u7684\u4e8c\u7ef4\u7eb3\u7c73\u7ed3\u6784<\/p>\n

\u7f8e\u56fd\u7ebd\u7ea6\u5dde\u7acb\u5927\u5b66\u5bbe\u6c49\u59c6\u987f\u5206\u6821\u7684Ernesto D. Sandoval\uff08\u7b2c\u4e00\u4f5c\u8005\uff09\u7b49\u4eba\u901a\u8fc7\u91c7\u7528\u4ece\u5934\u8ba1\u7b97\u6f14\u5316\u7b97\u6cd5\u5bf9\u4e8c\u7ef4\u5c42\u72b6\u7c7b\u77f3\u58a8\u70ef\u6750\u6599BNSi2\u641c\u7d22\u4e00\u7cfb\u5217\u7a33\u5b9a\u800c\u65b0\u5947\u7684\u7ed3\u6784\u3002\u5f62\u6210\u80fd\u7684\u8ba1\u7b97\u7ed3\u679c\u8868\u660e\uff0c\u641c\u7d22\u9884\u6d4b\u51fa\u7684\u65b0\u7ed3\u6784\u76f8\u5bf9\u4e8e\u4e8c\u7ef4\u7845\u70ef\u548cBN\u5355\u539f\u5b50\u5c42\u662f\u7a33\u5b9a\u7684\u3002\u901a\u8fc7\u5bf9\u6bd4CSi, BNC2\u548cBNSi2\u7b49\u51e0\u79cd\u4e8c\u7ef4\u5316\u5408\u7269\u7684\u7535\u5b50\u7ed3\u6784\u540e\u63ed\u793a\uff0c\u540e\u4e24\u8005\u7684\u4e0d\u6eb6\u6027\u4e3b\u8981\u662f\u56e0\u4e3aN\u539f\u5b50\u5728\u6df7\u5408\u4f53\u7cfb\u91cc\u4e0d\u6613\u5f62\u6210\u5171\u4ef7\u952e\u3002\u5728\u6b64\u57fa\u7840\u4e0a\uff0c\u4ed6\u4eec\u8fd8\u5bf9\u63a2\u7d22\u548c\u8bbe\u8ba1BN-C-Si\u7684\u65b0\u7ed3\u6784\u63d0\u51fa\u4e86\u4e00\u4e9b\u89c2\u70b9\uff0c\u6bd4\u5982\u4ee5\u540e\u7684\u641c\u7d22\u65b9\u5411\u9700\u8003\u8651\u8651BN-C-Si\u53ef\u80fd\u5b58\u5728\u975e\u516d\u89d2\u6676\u683c\u7684\u7ed3\u6784\u3002<\/p>\n

\u6587: nanogold<\/p>\n

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

\u6b22\u8fce\u8bd5\u7528\u6750\u6599\u4eba\u4ee3\u7406\u7684\u5929\u6cb32\u53f7\u8d85\u7ea7\u8ba1\u7b97\u673a<\/strong>\uff1b\u53c2\u4e0e\u8ba1\u7b97\u6750\u6599\u8bdd\u9898\u8ba8\u8bba\uff0c\u8bf7\u52a0\u5165\u6750\u6599\u4eba\u8ba1\u7b97\u6750\u6599\u7fa4\uff08562663183\uff09\uff1b\u53c2\u4e0e\u8ba1\u7b97\u6750\u6599\u6587\u732e\u89e3\u8bfb\u548c\u6587\u732e\u6c47\u603b\u53ca\u8ba1\u7b97\u6750\u6599\u77e5\u8bc6\u79d1\u666e\u7b49\uff0c\u8bf7\u52a0\u5165\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u8ba1\u7b97\u6750\u6599\u7ec4\uff08\u62a5\u540d\u8bf7\u6233\u6211<\/a>\uff09\u6216\u8005\u8054\u7cfb\uff1a\u7075\u5bf8\uff08418703364\uff09\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"

1\u3001\u77f3\u58a8\u70ef\u7eb3\u7c73\u6761\u5e26\uff1a\u5e73\u9762\u5468\u671f\u6027\u6392\u5217\u7684\u77f3\u58a8\u70ef\u7eb3\u7c73\u6761\u5e26\u7684\u7b49\u79bb\u5b50\u6a21\u5f0f Plasmon Modes of Graphene Nanoribbons with Perio…<\/p>\n","protected":false},"author":372,"featured_media":41701,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[67],"tags":[97],"class_list":["post-41690","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-zhoubao","tag-computation"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/41690"}],"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\/372"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=41690"}],"version-history":[{"count":13,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/41690\/revisions"}],"predecessor-version":[{"id":41917,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/41690\/revisions\/41917"}],"wp:featuredmedia":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/media\/41701"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=41690"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=41690"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=41690"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}