{"id":240182,"date":"2022-07-29T07:02:24","date_gmt":"2022-07-28T23:02:24","guid":{"rendered":"\/\/m.iemloyee.com\/?p=240182"},"modified":"2022-07-28T16:29:02","modified_gmt":"2022-07-28T08:29:02","slug":"%e5%ae%9e%e8%b7%b5%e5%87%ba%e7%9c%9f%e7%9f%a5-%e9%ab%98%e8%bf%81%e7%a7%bb%e7%8e%87%e6%9c%89%e6%9c%ba%e5%8d%8a%e5%af%bc%e4%bd%93%e4%b8%ad%e6%9e%81%e5%8c%96%e5%ad%90%e5%bd%a2%e6%88%90%e7%9a%84%e5%ae%9e","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=240182","title":{"rendered":"NAT. MATER.\uff1a\u5b9e\u8df5\u51fa\u771f\u77e5-\u9ad8\u8fc1\u79fb\u7387\u6709\u673a\u534a\u5bfc\u4f53\u4e2d\u6781\u5316\u5b50\u5f62\u6210\u7684\u5b9e\u9a8c\u8bc1\u660e"},"content":{"rendered":"
\u3010\u5bfc\u8bfb\u3011<\/p>\n
\u6709\u673a\u534a\u5bfc\u4f53\u662f\u7531\u5206\u5b50\u95f4\u5f31\u76f8\u4e92\u4f5c\u7528(\u5982\u8303\u5fb7\u534e\u529b)\u7ed3\u5408\u7684\u5206\u5b50\u7ec4\u6210\u7684\u3002\u5728\u6709\u673a\u534a\u5bfc\u4f53\u4e2d\u5c40\u57df\u8f7d\u6d41\u5b50\u4ece\u4e00\u4e2a\u5206\u5b50\u8df3\u8dc3\u5230\u53e6\u4e00\u4e2a\u5206\u5b50\uff0c\u4ece\u800c\u4e0d\u8fde\u8d2f\u5730\u4f20\u64ad\u5f62\u6210\u72ec\u7279\u7684\u7535\u8377\u8f6c\u8fd0\u673a\u5236\u3002\u80fd\u5e26\u7ed3\u6784\u53ef\u4ee5\u90e8\u5206\u89e3\u91ca\u6709\u673a\u534a\u5bfc\u4f53\u4e2d\u7535\u8377\u4f20\u8f93\u884c\u4e3a\uff0c\u4f46\u662f\u63cf\u8ff0\u4f20\u7edf\u534a\u5bfc\u4f53(\u5982 Si\uff0cGe \u6216 GaAs)\u7684\u6807\u51c6\u80fd\u5e26\u6a21\u578b\u5e76\u4e0d\u80fd\u5145\u5206\u63cf\u8ff0\u6709\u673a\u534a\u5bfc\u4f53\u4e2d\u7684\u7535\u8377\u8f93\u8fd0\u3002\u6781\u5316\u5b50\u662f\u4e00\u79cd\u5e26\u6709\u5206\u5b50\u548c\u6676\u683c\u53d8\u5f62\u7684\u7535\u8377\uff0c\u5728\u9ad8\u8fc1\u79fb\u7387\u6709\u673a\u534a\u5bfc\u4f53\u4e2d\u7684\u7535\u5b50\u8fc1\u79fb\u7387\u4f1a\u53d7\u5230\u6781\u5316\u5b50\u5f62\u6210\u7684\u9650\u5236\uff0c\u4f46\u662f\u6781\u5316\u5b50\u7684\u5f62\u6210\u4e00\u76f4\u5907\u53d7\u4e89\u8bae\uff0c\u4ece\u672a\u88ab\u5b9e\u9a8c\u8bc1\u660e\u3002<\/p>\n
\u3010\u6210\u679c\u80cc\u666f\u3011<\/p>\n
\u8fd1\u65e5\uff0c\u65e5\u672c\u7b51\u6ce2\u5927\u5b66\u5e94\u7528\u7269\u7406\u7cfb\u6559\u6388Hiroyuki Ishii\u8054\u5408\u65e5\u672c\u5343\u53f6\u5927\u5b66\u7269\u7406\u7cfb\u6559\u6388Hiroyuki Yoshida\u4e3a\u5171\u540c\u901a\u8baf\u4f5c\u8005\u5728\u201dNATURE MATERIALS<\/em><\/strong>\u201d\u4e0a\u53d1\u8868\u4e86\u4e00\u7bc7\u9898\u4e3a \u201dConduction band structure of high-mobility organic semiconductors and partially dressed polaron formation<\/em>\u201d\u7684\u6587\u7ae0\uff0c\u4ed6\u4eec\u4f7f\u7528\u4e00\u79cd\u9ad8\u8fc1\u79fb\u7387\u6709\u673a\u534a\u5bfc\u4f53\u539f\u578b-\u5e76\u4e94\u82ef\u4e3a\u7814\u7a76\u6837\u54c1\uff0c\u63d0\u51fa\u4e86\u4e00\u4e2a\u201c\u90e8\u5206\u4fee\u9970\u201d\u6781\u5316\u5b50\u6a21\u578b\uff0c\u89e3\u91ca\u4e86\u7535\u5b50\u4e0e\u4f4e\u9891\u5206\u5b50\u5185\u632f\u52a8\u6a21\u5f0f\u4e4b\u95f4\u7684\u8026\u5408\uff0c\u7528\u5b9e\u9a8c\u8bc1\u660e\u4e86\u9ad8\u8fc1\u79fb\u7387\u6709\u673a\u534a\u5bfc\u4f53\u4e2d\u7684\u7535\u5b50\u8fc1\u79fb\u7387\u786e\u5b9e\u53d7\u5230\u6781\u5316\u5b50\u5f62\u6210\u7684\u9650\u5236\u3002<\/p>\n \u3010\u6838\u5fc3\u521b\u65b0\u70b9\u3011<\/p>\n 1.\u91c7\u7528\u89d2\u5206\u8fa8\u4f4e\u80fd\u9006\u5149\u7535\u5b50\u80fd\u8c31\u6765\u63ed\u793a\u539f\u578b\u9ad8\u8fc1\u79fb\u7387\u6709\u673a\u534a\u5bfc\u4f53\u5e76\u4e94\u82ef\u7684 LUMO \u80fd\u5e26\u7ed3\u6784\u3002<\/p>\n 2.\u4ee5\u5e76\u4e94\u82ef\u4e3a\u539f\u578b\uff0c\u63d0\u51fa\u4e86\u4e00\u79cd\u6539\u8fdb\u7684\uff08\u90e8\u5206\u4fee\u9970\u7684\uff09\u6781\u5316\u5b50\u6a21\u578b\uff0c\u89e3\u91ca\u4e86\u7535\u5b50 – \u5206\u5b50\u5185\u632f\u52a8\u76f8\u4e92\u4f5c\u7528\u4e0e\u57fa\u4e8e\u5fb7\u62dc\u677e\u5f1b\u7684\u9891\u7387\u76f8\u5173\u8026\u5408\u5e38\u6570\u3002\u5b9a\u91cf\u5730\u518d\u73b0\u4e86\u8f6c\u79fb\u79ef\u5206\uff0c\u5b9a\u91cf\u5730\u518d\u73b0\u4e86\u4e0e\u6e29\u5ea6\u76f8\u5173\u7684 HOMO \u548c LUMO \u5e26\u5bbd\uff0c\u4ee5\u53ca\u7a7a\u7a74\u548c\u7535\u5b50\u8fc1\u79fb\u7387\u3002<\/p>\n 3.\u7528\u5b9e\u9a8c\u8bc1\u660e\u4e86\u9ad8\u8fc1\u79fb\u7387\u6709\u673a\u534a\u5bfc\u4f53\u4e2d\u7684\u7535\u5b50\u8fc1\u79fb\u7387\u786e\u5b9e\u53d7\u5230\u6781\u5316\u5b50\u5f62\u6210\u7684\u9650\u5236\u3002<\/p>\n \u3010\u6570\u636e\u6982\u89c8\u3011<\/p>\n \u56fe\u4e00\uff1a\u5e76\u4e94\u82ef\u8584\u819c\u76f8\u5728 SiO2 <\/sub>\u4e0a\u7684 AR-LEIPS \u5149\u8c31 @NATURE MATERIALS<\/p>\n a\uff0cb\uff0c\u89c2\u5bdf\u5230\u7684 AR-LEIPS \u5149\u8c31 (a) \u548c\u8d1f\u4e8c\u9636\u5bfc\u6570\uff0c\u5c06\u5149\u8c31\u5206\u91cf\u5f97\u5230\u6700\u5927\u503c (b)\u3002 \u5cf0\u7528\u7ea2\u8272\u6761\u8868\u793a\u3002\u00a0 c\uff0c\u6cbf ab \u5e73\u9762\u7684\u6676\u80de\u548c\u5206\u5b50\u6392\u5217\u3002 \u4e09\u4e2a\u4e3b\u8981\u7684\u5206\u5b50\u95f4\u76f8\u4e92\u4f5c\u7528\u7531\u5e26\u6709\u8f6c\u79fb\u79ef\u5206 ti<\/sub> \u7684\u7ea2\u8272\u7bad\u5934\u8868\u793a\u3002 \u7b49\u6548\u548c\u4e0d\u7b49\u6548\u5206\u5b50\u4ee5\u7070\u8272\u548c\u84dd\u8272\u533a\u5206\u3002\u00a0 d\uff0c\u5728\u8fd9\u9879\u5de5\u4f5c\u4e2d\u68c0\u67e5\u7684\u6cbf ab \u5e73\u9762\u7684\u5e03\u91cc\u6e0a\u533a\u3002<\/p>\n \u56fe 2\uff1a\u5e76\u4e94\u82ef\u7684 LUMO \u80fd\u5e26\u7ed3\u6784\u3002@NATURE MATERIALS<\/p>\n a\uff0c\u901a\u8fc7 AR-LEIPS \u5b9e\u9a8c\u89c2\u5bdf\u5230\u7684 LUMO \u80fd\u5e26\u7ed3\u6784\uff08\u7ea2\u8272\u7a7a\u5fc3\u5706\u5708\uff09\u3002 \u7eff\u8272\u70ed\u5ea6\u56fe\u663e\u793a\u4e86\u57fa\u4e8e\u7b49\u5f0f\uff081\uff09\u7684\u6a21\u62df\u65b9\u4f4d\u89d2\u96c6\u6210\u80fd\u5e26\u7ed3\u6784\u7684\u6700\u4f73\u62df\u5408\u7ed3\u679c\u3002\u00a0 b\uff0c\u901a\u8fc7 DFT\uff08\u5e7f\u4e49\u68af\u5ea6\u8fd1\u4f3c-PBE\uff09\u8ba1\u7b97\u7684\u80fd\u5e26\u7ed3\u6784\u3002 \u7ea2\u7ebf\u8868\u793a\u6cbf \u0393-X\uff08\u865a\u7ebf\uff09\u3001\u0393-Y\uff08\u5b9e\u7ebf\uff09\u3001\u0393-M\uff08\u865a\u7ebf\uff09\u548c \u0393-M’\uff08\u70b9\u5212\u7ebf\uff09\u65b9\u5411\u7684\u8c31\u5e26\uff0c\u84dd\u8272\u9634\u5f71\u533a\u57df\u8868\u793a\u65b9\u4f4d\u89d2\u96c6\u6210\u5e26\u7ed3\u6784\u3002<\/p>\n \u7b49\u5f0f\uff081\uff09\uff1a<\/p>\n \u56fe 3\uff1a\u7406\u8bba\u8ba1\u7b97\u7ed3\u679c\u3002@NATURE MATERIALS<\/p>\n a\uff0c\u91cd\u7ec4\u80fd \u03bbl<\/sub> \u4f5c\u4e3a\u7535\u5b50\uff08LUMO\uff0c\u4e0a\u56fe\uff09\u548c\u7a7a\u7a74\uff08HOMO\uff0c\u4e0b\u56fe\uff09\u7684\u5206\u5b50\u5185\u632f\u52a8\u9891\u7387 \u03c9l<\/sub> \u7684\u51fd\u6570\u3002\u00a0 b\uff0c\u5bf9\u4e8e\u4e0d\u540c\u7684\u88f8\u8f6c\u79fb\u79ef\u5206 (ti<\/sub>0<\/sup>)\uff0c\u6839\u636e\u7b49\u5f0f (3b) \u8ba1\u7b97\u51fa\u7684\u8870\u51cf\u56e0\u5b50 F \u7684\u632f\u52a8\u9891\u7387\u4f9d\u8d56\u6027\u3002\u00a0 c\uff0c\u6839\u636e\u7b49\u5f0f\uff082\uff09\u6240\u793a\u7684\u5e38\u89c4\u6781\u5316\u5b50\u6a21\u578b\uff08\u865a\u7ebf\uff09\u548c\u7b49\u5f0f(3)\u6240\u793a\u7684\u90e8\u5206\u4fee\u6574\u6781\u5316\u5b50\u6a21\u578b\u8ba1\u7b97\u7684 300\u2009K \u5904 LUMO\uff08\u4e0a\u56fe\uff09\u548c HOMO\uff08\u4e0b\u56fe\uff09\u5e26\u7684\u6781\u5316\u5b50\u5e26\u7ed3\u6784\uff08\u6df1\u7ea2\u8272\u548c\u84dd\u8272\u7ebf\u6761\uff09\uff0c \u8fd8\u663e\u793a\u4e86\u88f8\u5e26\u7ed3\u6784\uff08\u6d45\u7c89\u8272\u548c\u5929\u84dd\u8272\u7ebf\uff09\u3002 \u80fd\u91cf\u8f74\u7684\u539f\u70b9\u5206\u522b\u8bbe\u7f6e\u4e3a LUMO \u80fd\u5e26\u5e95\u90e8\u548c HOMO \u80fd\u5e26\u9876\u90e8\u3002\u00a0 d\uff0cHOMO \u548c LUMO \u6781\u5316\u5b50\u5e26\u5bbd\u7684\u6e29\u5ea6\u4f9d\u8d56\u6027\u3002<\/p>\n \u7b49\u5f0f\uff082\uff09\uff1a<\/p>\n \u7b49\u5f0f\uff083\uff09\uff1a<\/p>\n <\/p>\n <\/p>\n \u56fe 4\uff1a\u6e29\u5ea6\u76f8\u5173\u7684 UPS \u548c LEIPS \u5149\u8c31\u3002@NATURE MATERIALS<\/p>\n a\uff0c\u5728 72 K \u5230 295\u2009K \u7684\u6e29\u5ea6\u8303\u56f4\u5185\u6d4b\u91cf\u7684 UPS \u548c LEIPS \u5149\u8c31\u3002 b\uff0c\u5e76\u4e94\u82ef\/SiO2 <\/sub>\u7684HOMO \u548c LUMO \u5e26\u5bbd\u7684\u6e29\u5ea6\u4f9d\u8d56\u6027\u5b9e\u9a8c\u3002 \u6e29\u5ea6\u4f9d\u8d56\u6027\u4e0e\u56fe 3d \u6240\u793a\u7684\u8ba1\u7b97\u7ed3\u679c\u5b8c\u5168\u4e00\u81f4\u3002\u00a0 c,d,\u00a0 \u5e76\u4e94\u82ef\/Cu(110) \u7684\u76f8\u5e94\u6570\u636e\u3002\u00a0 a \u548c c \u4e2d\u7684\u4e09\u89d2\u5f62\u8868\u793a\u4ece\u4e8c\u9636\u5bfc\u6570\u7684\u8d1f\u5cf0\u503c\u5bfc\u51fa\u7684\u5b50\u5e26\u7684\u4f4d\u7f6e\u3002<\/p>\n \u56fe 5\uff1a\u7406\u8bba\u6e29\u5ea6\u76f8\u5173\u7684\u7535\u5b50\u548c\u7a7a\u7a74\u8fc1\u79fb\u7387\u3002@NATURE MATERIALS<\/p>\n \u5e76\u4e94\u82ef\u8584\u819c\u76f8\u7684\u7535\u5b50\uff08\u7ea2\u8272\uff09\u548c\u7a7a\u7a74\uff08\u84dd\u8272\uff09\u8fc1\u79fb\u7387\u7684\u6e29\u5ea6\u4f9d\u8d56\u6027\u7684\u8ba1\u7b97\u3002<\/p>\n \u3010\u7ed3\u8bba\u3011<\/p>\n \u4f5c\u8005\u91c7\u7528\u5355\u8f74\u53d6\u5411\u7684\u5e76\u4e94\u82ef\u8584\u819c\u4e3a\u6837\u54c1\uff0c\u901a\u8fc7 AR-LEIPS \u76f4\u63a5\u89c2\u5bdf\u4e86\u6709\u673a\u534a\u5bfc\u4f53\u7684 LUMO \u884d\u751f\u5bfc\u5e26\uff0c\u5e76\u901a\u8fc7\u6bd4\u8f83\u65b9\u4f4d\u89d2\u65e0\u5e8f\u6676\u4f53\u7684\u5b9e\u9a8c\u548c\u6a21\u62df\u80fd\u5e26\u7ed3\u6784\uff0c\u89c2\u5bdf\u5230\u4e0e HOMO \u5e26\u5bbd\u76f8\u6bd4\uff0cLUMO 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