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Anti-Van\u2019t Hoff\/Le Bel Array AlB6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity\u201d\u53d1\u8868\u5728JACS\u4e0a\u3002<\/p>\n \u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n \u56fe1\uff0c\u4e8c\u7ef4AlB6<\/sub>\u7eb3\u7c73\u7247\u4e0d\u540c\u7ed3\u6784\u7684\u5206\u5e03\u56fe(\u6bd4\u7387\u548c\u6570\u91cf)\u3002<\/p>\n (a)\u997c\u72b6\u56fe\u8868\u793a\u4e0d\u540c\u7ed3\u6784\u7684\u6570\u76ee\u6240\u5360\u7684\u767e\u5206\u6bd4\uff1b\u56fe\u6807\u7684\u5de6\u4fa7\u662f\u76f8\u5bf9\u80fd\u91cf\uff0c\u53f3\u4fa7\u662f\u76f8\u5e94\u7ed3\u6784\u6570\u6240\u5360\u7684\u6bd4\u4f8b\uff0c(b) \u5f53\u80fd\u91cf\u4ee50.1eV\/atom\u7684\u95f4\u9694\u589e\u52a0\u65f6\uff0c\u4e0d\u540c\u7ed3\u6784\u7684\u6570\u91cf\u968f\u4e4b\u53d8\u5316\u60c5\u51b5\u3002<\/p>\n \u56fe2\uff0c\u4e8c\u7ef4AlB6<\/sub>\u7eb3\u7c73\u7247\u7684\u4e0d\u540c\u7ed3\u6784\u57281eV\u80fd\u91cf\u8303\u56f4\u5185\u7684\u6f14\u53d8\u8fc7\u7a0b\u3002<\/p>\n 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(a)\u80fd\u5e26\u7ed3\u6784\uff0c(b)\u603b\u6001\u5bc6\u5ea6(TDOS)\u548c\u6295\u5f71s\u3001p\u8f68\u9053\u7684\u5206\u6ce2\u6001\u5bc6\u5ea6(PDOS)\uff0c(c)\u6295\u5f71px<\/i><\/sub><\/em>\uff0cpy<\/i><\/sub><\/em>\uff0cpz<\/i><\/sub><\/em>\u7684\u5206\u6ce2\u6001\u5bc6\u5ea6(PDOS)\uff0c(d)\u8d39\u7c73\u9762\u548c\u7b2c\u4e00\u5e03\u91cc\u6e0a\u533a\u7684\u9ad8\u5bf9\u79f0\u7ebf\uff0c(e)\u4e09\u7ef4\u80fd\u5e26\u7ed3\u6784\u4e2d\u7684\u72c4\u62c9\u514b\u8282\u70b9\u73af\u3002\u5728(a)\u4e2d\u4ee5\u7ea2\u8272\u8868\u793a\u4e09\u4e2aDirac\u9525DC1\uff0cDC2\u548cDC3\u3002\u8d39\u7c73\u80fd\u7ea7\u8bbe\u5b9a\u4e3a0eV\u3002<\/p>\n \u56feS4\uff0cAlB6-ptAl-array\u5728PBE\u548cHSE06\u4e0b\u7684\u80fd\u5e26\u7ed3\u6784\u548cDirac\u9525\u5bf9\u6bd4\uff0c\u9ed1\u8272\u662fPBE\u7684\u7ed3\u679c\uff0c\u84dd\u8272\u662fHSE06\u7684\u7ed3\u679c\uff0c\u7ea2\u8272\u8868\u793aDirac\u9525\u3002\u4e0ePBE\u7ed3\u679c\u5bf9\u6bd4\u53ef\u77e5\uff0c\u5728HSE06\u4e0b\uff0c\u4e09\u91cdDirac\u9525\u4fdd\u6301\u7684\u5f88\u597d\uff0c\u76f8\u5bf9\u4e8e\u8d39\u7c73\u80fd\u7ea7\u53ea\u4e0a\u79fb\u4e00\u70b9\u3002<\/p>\n \u00a0\u56fe7\uff0c\u7535\u58f0\u8026\u5408\u3001\u8c31\u51fd\u6570\u548c\u8d85\u5bfc\u7535\u6027\u3002<\/p>\n (a)\u5177\u6709\u58f0\u5b50\u7ebf\u5bbd\u7684\u58f0\u5b50\u8272\u6563\u8c31\uff0c(b)\u58f0\u5b50\u6001\u5bc6\u5ea6(PhDOS)\uff0c(c)Quantum Espresso\u8ba1\u7b97\u5f97\u5230Eliashberg\u8c31\u51fd\u6570\u03b1<\/i><\/em>2<\/sup>F<\/i><\/em>(\u03c9<\/i><\/em>)\u548c\u7535\u5b50-\u58f0\u5b50\u8026\u5408\u5f3a\u5ea6\u03bb<\/i><\/em>\uff0c(d)\u6001\u5bc6\u5ea6\u7684\u8d39\u7c73\u80fd\u7ea7N<\/i><\/em>(E<\/i><\/em>F<\/sub>)\u548c\u5bf9\u6570\u5e73\u5747\u9891\u7387\u03c9<\/i><\/em>log<\/sub>\u968f\u65bd\u52a0\u5e94\u53d8\u7684\u6f14\u53d8\u56fe\uff0c(e)EPC\u548cT<\/i><\/em>c<\/sub>\u968f\u65bd\u52a0\u5e94\u53d8\u7684\u6f14\u53d8\u56fe\u3002<\/p>\n \u56fe8\uff0cAlB6-ptAl-array\u7684\u5316\u5b66\u952e\u5206\u6790\uff0c\u4e0d\u540c\u89c6\u89d2\u4e0b\u7684\u7535\u5b50\u5c40\u57df\u51fd\u6570ELF\u3002<\/p>\n (a-e)\u663e\u793a\u6240\u5206\u6790ELF\u7684\u5e73\u9762\uff1b(a’-e’)\u6bcf\u4e2a\u5e73\u9762ELF\u7684\u5206\u6790\u7ed3\u679c\u3002<\/p>\n \u3010\u5c0f\u7ed3\u3011<\/strong><\/p>\n \u901a\u8fc7\u5168\u9762\u7684\u7ed3\u6784\u641c\u7d22\uff0c\u7cfb\u7edf\u7684\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u548c\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\uff0c\u672c\u6587\u53d1\u73b0\u4e8c\u7ef4AlB6\u7eb3\u7c73\u7247\u662f\u6781\u5177\u524d\u666f\u7684\u591a\u529f\u80fd\u65b0\u578b\u4e8c\u7ef4\u6750\u6599\u3002AlB6\u7eb3\u7c73\u7247\u5177\u6709\u975e\u5e38\u72ec\u7279\u7684\u5e73\u9762\u56db\u914d\u4f4d\u94dd\u9635\u5217\uff0c\u975e\u5e38\u9ad8\u7684\u70ed\u529b\u5b66\u548c\u52a8\u529b\u5b66\u7a33\u5b9a\u6027\uff0c\u529b\u5b66\u6027\u80fd\u4f18\u4e8e\u77f3\u58a8\u70ef\uff0c\u5947\u5f02\u7684\u4e09\u91cd\u72c4\u62c9\u514b\u9525\u3001\u72c4\u62c9\u514b\u8282\u70b9\u73af\uff0c\u548c\u8d85\u5bfc\u7535\u6027\u3002\u7531\u4e8eAlB6\u7eb3\u7c73\u7247\u7a33\u5b9a\u9ad8\uff0c\u6027\u80fd\u4f18\u5f02\uff0c\u6709\u671b\u5728\u4e0d\u4e45\u7684\u5c06\u6765\u88ab\u5b9e\u9a8c\u5236\u5907\u51fa\u6765\uff0c\u5e76\u5e94\u7528\u4e8e\u7eb3\u7c73\u7535\u5b50\u5b66\u548c\u7eb3\u7c73\u529b\u5b66\u7b49\u76f8\u5173\u9886\u57df\u3002\u8be5\u5de5\u4f5c\u4e3a\u4e8c\u7ef4\u94dd\u787c\u6750\u6599\u5f00\u8f9f\u4e86\u4e00\u4e2a\u65b0\u5206\u652f\uff0c\u540c\u65f6\uff0c\u4e5f\u4e3a\u4e8c\u7ef4\u53cd\u2212\u8303\u7279\u970d\u592b\/\u52d2\u8d1d\u5c14\u9635\u5217\u7684\u7814\u7a76\u5f00\u8f9f\u4e86\u4e00\u4e2a\u65b0\u9886\u57df\u3002\u6709\u671b\u5bf9\u7406\u8bba\u9884\u6d4b\u548c\u5b9e\u9a8c\u5236\u5907\u65b0\u578b\u4e8c\u7ef4\u6750\u6599\u7684\u7814\u7a76\u8d77\u5230\u79ef\u6781\u5730\u4fc3\u8fdb\u548c\u63a8\u52a8\u4f5c\u7528\u3002<\/p>\n \u6587\u732e\u94fe\u63a5\uff1aTwo-Dimensional Anti-Van’t Hoff\/Le Bel Array AlB6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity,\u00a0J. Am. Chem. Soc.\u00a02019<\/b><\/strong>, DOI: 10.1021\/jacs.8b13075, https:\/\/pubs.acs.org.ccindex.cn\/doi\/10.1021\/jacs.8b13075<\/u><\/a><\/p>\n \u901a\u8baf\u4f5c\u8005\u53ca\u5176\u8bfe\u9898\u7ec4\u7b80\u4ecb\uff1a<\/strong><\/p>\n \u6768\u5229\u660e\uff0c\u7537\uff0c \u534e\u4e2d\u79d1\u6280\u5927\u5b66\u5316\u5b66\u4e0e\u5316\u5de5\u5b66\u9662\u535a\u58eb\u751f\u5bfc\u5e08<\/b><\/strong>\uff0c\u76ee\u524d\u4e3b\u6301\u56fd\u5bb6\u81ea\u7136\u79d1\u5b66\u57fa\u91d1\u9762\u4e0a\u9879\u76ee2\u9879<\/b><\/strong>\uff0c\u5165\u9009\u201c\u695a\u5929\u5b66\u8005\u201d\u8ba1\u5212\uff0c\u8bfe\u9898\u7ec4\u4e3b\u8981\u8fd0\u7528<\/b><\/strong>\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u548c\u591a\u5c3a\u5ea6\u6a21\u62df\u8bbe\u8ba1\u548c\u9884\u6d4b\u65b0\u578b\u591a\u529f\u80fd\u6750\u6599\uff08\u5305\u62ec\u4e8c\u7ef4\u6750\u6599\uff0cMOFs\/COFs\uff0c\u975e\u7ebf\u6027\u5149\u5b66\u6750\u6599\u7b49\uff09\u548c\u7814\u7a76\u5404\u79cd\u50ac\u5316\u53cd\u5e94\u673a\u7406\uff08\u5305\u62ecCO2\u8fd8\u539f\uff0cN2\u8fd8\u539f\u7b49\uff09\uff1b\u53e6\u5916\uff0c\u6839\u636e\u89e3\u51b3\u95ee\u9898\u7684\u9700\u8981\uff0c\u53d1\u5c55<\/b><\/strong>\u76f8\u5e94\u7684\u8ba1\u7b97\u65b9\u6cd5\u5e76\u8fdb\u884c\u7a0b\u5e8f\u5316\u4f7f\u7528\u3002\u76ee\u524d\u5728J. Am. Chem. Soc.\uff0cAngew. Chem. Int. Ed.\u7b49\u56fd\u9645\u8457\u540d\u520a\u7269\u4e0a\u53d1\u8868SCI\u8bba\u658755\u7bc7\u3002<\/p>\n \u8bfe\u9898\u7ec4\u56e0\u5de5\u4f5c\u9700\u8981\uff0c\u957f\u671f\u62db\u6536\u7855\u58eb\u3001\u535a\u58eb\u3001\u535a\u58eb\u540e\u3002\u6709\u610f\u8005\u8bf7\u8054\u7cfbLmyang@hust.edu.cn<\/p>\n \u8fd1\u671f\u76f8\u5173\u8bba\u6587\u5982\u4e0b\uff1a<\/strong><\/p>\n 1)\u00a0Two-dimensional Cu2<\/sub>Si Monolayer with Planar Hexacoordinate Copper and Silicon Bonding, J. Am. Chem. Soc<\/b><\/strong>.\u00a02015<\/b><\/strong>, 137, 2757-2762.\u00a0http:\/\/pubs.acs.org\/doi\/abs\/10.1021%2Fja513209c<\/u><\/a><\/p>\n Selected as:\u00a0Spotlights on Recent JACS Publications<\/b><\/strong>\u00a0http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/jacs.5b01896<\/u><\/a><\/p>\n \u5b9e\u9a8c\u5236\u5907Cu2Si<\/b><\/strong><\/p>\n Experimental realization of two-dimensional Dirac nodal line fermions in monolayer Cu2Si, Nat. Commun. 2017<\/b><\/strong>, 8, 1007. https:\/\/www.nature.com\/articles\/s41467-017-01108-z<\/p>\n<\/p>\n
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