{"id":106018,"date":"2017-10-13T06:30:12","date_gmt":"2017-10-12T22:30:12","guid":{"rendered":"\/\/m.iemloyee.com\/?p=106018"},"modified":"2017-10-10T16:38:49","modified_gmt":"2017-10-10T08:38:49","slug":"acta-materialia%ef%bc%9a%e6%8f%ad%e7%a7%98%e8%93%9d%e5%ae%9d%e7%9f%b3%e8%89%b2%e5%bd%a9%e4%b9%8b%e8%b0%9c-%ce%b1-al2o3%e4%b8%adti%e5%92%8cfe%e7%bc%ba%e9%99%b7%e7%9a%84%e7%a3%81%e6%80%81","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=106018","title":{"rendered":"Acta Mater.\uff1a\u63ed\u79d8\u84dd\u5b9d\u77f3\u8272\u5f69\u4e4b\u8c1c \u2014 \u03b1-Al2O3\u4e2dTi\u548cFe\u7f3a\u9677\u7684\u78c1\u6001\u548c\u4ef7\u5c42\u7535\u8377\u8f6c\u79fb"},"content":{"rendered":"
\u3010\u5f15\u8a00\u3011<\/strong><\/p>\n \u84dd\u5b9d\u77f3\u4f5c\u4e3a\u5929\u7136\u6c27\u5316\u94dd\u5e38\u89c1\u7684\u4e00\u79cd\u5f62\u5f0f\uff0c\u88ab\u79f0\u4e3a\u521a\u7389\u7ed3\u6784\u03b1-Al2<\/sub>O3<\/sub>\u3002\u4f17\u6240\u5468\u77e5\uff0c\u84dd\u5b9d\u77f3\u4e2d\u8fc7\u6e21\u91d1\u5c5e\u6742\u8d28\u5f71\u54cdAl2<\/sub>O3<\/sub>\u989c\u8272\u6216\u900f\u660e\u5ea6\uff0c\u800c\u94c1\u548c\u949b\u5bf9\uff08Ti-Fe\uff09\u7f3a\u9677\u662f\u84dd\u5b9d\u77f3\u6df1\u84dd\u8272\u7684\u539f\u56e0\u3002\u4f46\u662f\uff0c\u76ee\u524d\u5bf9\u4e8e\u5176\u84dd\u8272\u7684\u5fae\u89c2\u673a\u5236\u5c1a\u4e0d\u660e\u786e\uff0c\u5bf9Al2<\/sub>O3<\/sub>\u4e2dTi-Fe\u7f3a\u9677\u5bf9\u7684\u7535\u5b50\u7ed3\u6784\u548c\u6027\u8d28\u7684\u7406\u8bba\u7814\u7a76\u5fae\u4e4e\u5176\u5fae\uff0c\u8fd9\u4e00\u65b9\u9762\u8fd8\u9700\u8981\u79d1\u7814\u4eba\u5458\u66f4\u591a\u7684\u5b9e\u9a8c\u548c\u7406\u8bba\u7814\u7a76\u6765\u63ed\u793a\u5176\u4e2d\u7684\u5965\u79d8\u3002<\/p>\n \u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n \u6700\u8fd1\uff0c\u97e9\u56fd\u56fd\u7acb\u9996\u5c14\u5927\u5b66Jaejun Yu<\/strong>\u548c\u6cf0\u56fd\u519c\u4e1a\u5927\u5b66Sutassana Na-Phattalung<\/strong>\u901a\u8fc7\u5bf9\u03b1-Al2<\/sub>O3<\/sub>\u4e2dTi-Fe\u5bf9\u6240\u6d89\u53ca\u7684\u7535\u8377\u548c\u81ea\u65cb\u72b6\u6001\u8fdb\u884c\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\uff0c\u5f97\u5230\u5176\u57fa\u6001\u7684\u7535\u78c1\u6027\u8d28\u5e76\u89e3\u91ca\u5176\u84dd\u8272\u7684\u539f\u56e0\u3002\u8be5\u7814\u7a76\u53d1\u8868\u4e8eActa Materialia<\/strong>\uff0c\u9898\u4e3a\u201cMagnetic states and intervalence charge transfer of Ti and Fe defects in \u03b1-Al2<\/sub>O3<\/sub>: The origin of the blue in sapphire<\/strong>\u201d\u3002\u7814\u7a76\u4eba\u5458\u901a\u8fc7\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u8ba1\u7b97\u83b7\u5f97\u4e86\u4e0d\u540cTi-Fe\u78c1\u6001\u7684\u603b\u80fd\u91cf\uff0c\u8be6\u7ec6\u5206\u6790\u4e86\u7531Ti\u548cFe\u6742\u8d28\u8bf1\u5bfc\u4ea7\u751f\u7684\u7f3a\u9677\u80fd\u7ea7\uff0c\u786e\u5b9a\u4e86\u6bcf\u4e2a\u7f3a\u9677\u6784\u578b\u7684\u7535\u8377\u548c\u81ea\u65cb\u72b6\u6001\u3002\u6b64\u5916\u8fd8\u6307\u51fa\uff0c\u84dd\u5b9d\u77f3\u84dd\u8272\u7684\u539f\u56e0\u5728\u4e8e\u4e0d\u540c\u7535\u8377\u548c\u81ea\u65cb\u6784\u578b\u4e4b\u95f4\u7684\u7535\u8377\u8f6c\u79fb\u6fc0\u53d1\uff0c\u5373TiIV<\/sup>\/ FeII<\/sup>\u548cTiIII<\/sup>\/ FeIII<\/sup>\uff0c\u4fc3\u8fdb\u4e86\u4ef7\u5c42\u7535\u8377\u8f6c\u79fb\u3002\u8be5\u7814\u7a76\u63d0\u51fa\uff0c\u660e\u786e\u57fa\u6001\u7684\u7535\u8377\u72b6\u6001\u5c06\u6709\u52a9\u4e8e\u4e86\u89e3Ti\u548cFe\u4e4b\u95f4\u7684\u4ef7\u5c42\u7535\u8377\u8f6c\u79fb\uff0c\u540c\u65f6\u6709\u52a9\u4e8e\u63a2\u7a76\u84dd\u5b9d\u77f3\u84dd\u8272\u5149\u5b66\u8f6c\u6362\u7684\u5f71\u54cd\u673a\u5236\u3002<\/p>\n \u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n \u56fe1.\u6784\u5efa\u8d85\u80de<\/strong><\/p>\n \u56fe\u793a\u4e3a\uff08a\uff09\u5305\u542b120\u4e2a\u539f\u5b50\u7684\u03b1-Al2<\/sub>O3<\/sub>\u8d85\u80de\u4e2d\u5171\u8fb9\u53d6\u5411\u548c\uff08b\uff09\u5171\u9762\u53d6\u5411\u7684Ti-Fe\u5bf9\u3002\u84dd\u8272\u3001\u7ea2\u8272\u3001\u7d2b\u8272\u548c\u7eff\u8272\u7403\u4f53\u5206\u522b\u6307\u94dd\u3001\u6c27\u3001\u949b\u548c\u94c1\u539f\u5b50\u3002<\/p>\n \u56fe<\/strong>2. TiIV<\/sup>-FeII<\/sup><\/strong>\u548c<\/strong>TiIII<\/sup>-FeIII<\/sup><\/strong>\u53ef\u80fd\u7684\u81ea\u65cb\u6784\u578b<\/strong><\/p>\n \uff08a\uff09Ti4+<\/sup>d0<\/sup>-Fe2+<\/sup>d6 <\/sup>(HS) \u548c\uff08b\uff09Ti4 + d0-Fe2 + d6 (LS)\u4e3aTiIV<\/sup>-FeII<\/sup>\u53ef\u80fd\u7684\u81ea\u65cb\u6784\u578b\uff1b<\/p>\n \uff08c\uff09Ti3+<\/sup>d1<\/sup>-Fe3+<\/sup>d5<\/sup> (HS) (FM)\uff0c<\/p>\n \uff08d\uff09Ti3+<\/sup>d1<\/sup>-Fe3+<\/sup>d5 <\/sup>(HS) (AF)\uff0c<\/p>\n \uff08e\uff09Ti3+<\/sup>d1<\/sup>-Fe3+<\/sup>d5<\/sup> (LS) (FM) \u548c\uff08f\uff09Ti3+<\/sup>d1<\/sup>-Fe3+<\/sup>d5 <\/sup>(LS) (AF)\u4e3aTiIII<\/sup>-FeIII<\/sup>\u53ef\u80fd\u7684\u81ea\u65cb\u6784\u578b\u3002<\/p>\n \u4ee5\u4e0a\u7684HS\u548cLS\u5206\u522b\u6307\u9ad8\u81ea\u65cb\u548c\u4f4e\u81ea\u65cb\uff0cFM\u548cAF\u5206\u522b\u8868\u793a\u94c1\u78c1\u548c\u53cd\u94c1\u78c1\u3002<\/p>\n \u56fe<\/strong>3. Al2<\/sub>O3<\/sub><\/strong>\u7684\u603b\u4f53\u79ef\u5bc6\u5ea6\u4e0e\u5171\u8fb9\u65b9\u5411\u7684<\/strong>PDOS<\/strong><\/p>\n \uff08a\uff09Al2<\/sub>O3<\/sub>\u5757\u4f53\u7684\u603b\u4f53\u79ef\u5bc6\u5ea6\uff0c\uff08b\uff09\u3001\uff08c\uff09\u3001\uff08d\uff09\u5206\u522b\u662fTiIV<\/sup>-FeII <\/sup>(HS)\u3001TiIV<\/sup>-FeII <\/sup>(LS)\u3001TiIII<\/sup>-FeIII <\/sup>(HS) (AF)\u4e2dTi\u548cFe\u539f\u5b50\u5728\u5171\u8fb9\u65b9\u5411\u4e0a\u7684\u4f4d\u80fd\u548c\u89d2\u52a8\u91cf\u6295\u5f71DOS\u56fe\u3002\u5782\u76f4\u7070\u8272\u865a\u7ebf\u8868\u793a\u8d39\u7c73\u80fd\u7ea7\uff0c\u5728\u6240\u6709\u8ba1\u7b97\u4e2d\u88ab\u8bbe\u7f6e\u4e3a\u96f6\u3002<\/p>\n \u56fe<\/strong>4<\/strong>.<\/strong>Al2<\/sub>O3<\/sub><\/strong>\u7684\u603b\u4f53\u79ef\u5bc6\u5ea6\u4e0e\u5171\u9762\u65b9\u5411\u7684<\/strong>PDOS<\/strong><\/p>\n \uff08a\uff09Al2<\/sub>O3<\/sub>\u5757\u4f53\u7684\u603b\u4f53\u79ef\u5bc6\u5ea6\uff0c\uff08b\uff09\u3001\uff08c\uff09\u5206\u522b\u4e3aTiIV<\/sup>-FeII <\/sup>(HS)\u3001TiIV<\/sup>-FeII <\/sup>(LS)\u4e2dTi\u548cFe\u539f\u5b50\u5728\u5171\u9762\u65b9\u5411\u4e0a\u7684\u4f4d\u80fd\u548c\u89d2\u52a8\u91cf\u6295\u5f71DOS\u56fe\u3002\u5782\u76f4\u7070\u8272\u865a\u7ebf\u8868\u793a\u8d39\u7c73\u80fd\u7ea7\uff0c\u5728\u6240\u6709\u8ba1\u7b97\u4e2d\u88ab\u8bbe\u7f6e\u4e3a\u96f6\u3002<\/p>\n \u56fe5.\u4e24\u79cd\u53d6\u5411\u4e0bTi\u548cFe\u539f\u5b50\u4ef7\u5c42\u7535\u8377\u8f6c\u79fb\u7684\u6784\u578b\u793a\u610f\u56fe<\/strong><\/p>\n \uff08a\uff09\u5171\u8fb9\u548c\uff08\u200b\u200bb\uff09\u5171\u9762\u53d6\u5411\u7684Ti\u548cFe\u539f\u5b50\u4ef7\u5c42\u7535\u8377\u8f6c\u79fb\u7684\u6784\u578b\u5750\u6807\u7684\u793a\u610f\u56fe\u3002<\/p>\n \u56fe<\/strong>6. <\/strong>\u4e09\u79cd\u5171\u8fb9\u53d6\u5411\u7684<\/strong>\u03b1-Al2<\/sub>O3<\/sub><\/strong>\u7684\u516b\u9762\u4f53\u7ed3\u6784\u5355\u5143\u793a\u610f\u56fe<\/strong><\/p>\n \u5728\u5171\u8fb9\u53d6\u5411\u7684\u03b1-Al2<\/sub>O3<\/sub>\u4e2d\uff0c\uff08a\uff09TiIV<\/sup>-FeII <\/sup>(HS)\uff08b\uff09TiIII<\/sup>-FeIII<\/sup> (HS)\u548c\uff08c\uff09TiIV<\/sup>-FeII <\/sup>(HS)\u7684XO6<\/sub>\u516b\u9762\u4f53\u5355\u5143\u7684\u5c40\u57df\u7ed3\u6784\uff0cX\u6307\u4ee3\u5176\u4e2d\u7684Ti\u548cFe\u3002\u7ea2\u8272\uff0c\u7d2b\u8272\u548c\u7eff\u8272\u7403\u4f53\u5206\u522b\u6307\u6c27\uff0c\u949b\u548c\u94c1\u539f\u5b50\u3002<\/p>\n \u56fe7.\u5171\u8fb9\u548c\u5171\u9762\u53d6\u5411\u5404\u81ea\u7684\u6700\u9ad8\u5360\u7528\u548c\u6700\u4f4e\u672a\u5360\u7528\u7f3a\u9677\u80fd\u7ea7\u56fe<\/strong><\/p>\n \uff08a\uff09\u5171\u8fb9\u53d6\u5411\u7684\u6700\u9ad8\u5360\u7528\u7f3a\u9677\u80fd\u7ea7\uff0c<\/p>\n \uff08b\uff09\u5171\u8fb9\u53d6\u5411\u7684\u6700\u4f4e\u672a\u5360\u7528\u7f3a\u9677\u80fd\u7ea7\uff0c<\/p>\n \uff08c\uff09\u5171\u9762\u53d6\u5411\u7684\u6700\u9ad8\u5360\u7528\u7f3a\u9677\u80fd\u7ea7\uff0c<\/p>\n \uff08d \uff09\u5171\u9762\u53d6\u5411\u7684\u6700\u4f4e\u672a\u5360\u7528\u7f3a\u9677\u80fd\u7ea7\u3002\u7ea2\u8272\uff0c\u7d2b\u8272\u548c\u7eff\u8272\u7403\u4f53\u662f\u6307\u6c27\uff0c\u949b\u548c\u94c1\u3002<\/p>\n \u3010\u5c0f\u7ed3\u3011<\/strong><\/p>\n \u672c\u7814\u7a76\u901a\u8fc7\u7814\u7a76\u84dd\u5b9d\u77f3\u03b1-Al2<\/sub>O3<\/sub>\u7684\u57fa\u6001\u6784\u578b\u53ca\u5176\u5bf9\u5e94\u7684Ti-Fe\u5bf9\u7f3a\u9677\uff0c\u5bf9Ti\u548cFe\u7684\u7535\u5b50\u3001\u80fd\u91cf\u548c\u7ed3\u6784\u7b49\u8fdb\u884c\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u3002\u7814\u7a76\u4e86\u5bfc\u81f4\u84dd\u5b9d\u77f3\u4ef7\u5c42\u7535\u8377\u8f6c\u79fb\u7684Ti\u3001Fe\u6392\u5217\uff0c\u53d1\u73b0\u4e86Ti\u548cFe\u7684\u5171\u8fb9\u548c\u5171\u9762\u53d6\u5411\u7684\u80fd\u91cf\u51e0\u4e4e\u90fd\u7a33\u5b9a\u57280.02eV\u7684\u603b\u80fd\u5dee\u5185\u3002\u5728\u8be5\u7814\u7a76\u4e2d\u6240\u6db5\u76d6\u7684Ti\u548cFe\u7684\u5404\u79cd\u53ef\u80fd\u7684\u81ea\u65cb\u6392\u5e03\u4e2d\uff0cTiIV<\/sup>-FeII<\/sup>(HS) \u7a33\u5b9a\u57fa\u6001\u548cTiIV<\/sup>-FeII<\/sup>(LS)\u7684\u4e9a\u7a33\u5b9a\u6001\u90fd\u5b58\u5728\u5171\u8fb9\u548c\u5171\u9762\u53d6\u5411\u3002\u7814\u7a76\u8ba1\u7b97\u7684\u5171\u8fb9\u53d6\u5411\u7684\u5149\u8dc3\u8fc1\u80fd\u4e3a1.99 eV\uff0c\u4e0e\u5b9e\u9a8c\u548c\u4e4b\u524d\u7684\u8ba1\u7b97\u5b8c\u5168\u4e00\u81f4\u3002\u5bf9\u4e8e\u5171\u9762\u53d6\u5411\uff0c\u8ba1\u7b97\u7684\u76f8\u5e94\u5149\u8dc3\u8fc1\u80fd\u91cf\u4e3a1.36 eV\u200b\u200b\uff0c\u5c0f\u4e8e\u5b9e\u9a8c\u503c\u548c\u5148\u524d\u8ba1\u7b97\u503c\uff0c\u5176\u5dee\u5f02\u53ef\u5f52\u56e0\u4e8e\u6240\u7528\u7684\u4ea4\u6362\u76f8\u5173\u51fd\u6570\u3002\u7814\u7a76\u6700\u540e\u63d0\u51fa\uff0c\u4e3a\u63a2\u7d22\u84dd\u8272\u84dd\u5b9d\u77f3\u7684\u8be6\u7ec6\u5149\u5438\u6536\u5149\u8c31\uff0c\u8fd8\u9700\u8981\u5b66\u4e60\u66f4\u590d\u6742\u7684\u8ba1\u7b97\u65b9\u6cd5\uff0c\u4ee5\u5904\u7406\u51c6\u7c92\u5b50\u80fd\u91cf\u548c\u6fc0\u5b50\u6fc0\u53d1\u7b49\u95ee\u9898\u3002<\/p>\n \u6587\u732e\u94fe\u63a5\uff1a <\/strong>Magnetic states and intervalence charge transfer of Ti and Fe defects in \u03b1-Al2<\/sub>O3<\/sub>: The origin of the blue in sapphire <\/a>(Acta Materialia, 2017, DOI: 10.1016\/j.actamat.2017.10.006)<\/p>\n \u672c\u6587\u7531\u6750\u6599\u4eba\u8ba1\u7b97\u6750\u6599\u7ec4 \u6731\u4e9a\u6960 \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\u7f16\u8f91\u90e8\u5927\u5bb6\u5ead<\/a>\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\u3002<\/p>\n \u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1a<\/strong>RDD-2011-CHERISH<\/strong>\uff0c\u4efb\u4e39\u4e39\uff0c\u6211\u4eec\u4f1a\u9080\u8bf7\u5404\u4f4d\u8001\u5e08\u52a0\u5165\u4e13\u5bb6\u7fa4\u3002<\/strong><\/p>\n
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