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\u30c6\u30fc\u30de\u6982\u8981<\/h2>\n\n\n\n

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\u8a08\u7b97\u7d50\u679c\u3068\u5c55\u671b<\/h2>\n\n\n\n
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\u56f31: MgO\u306b\u304a\u3051\u308b\u3001Mg\u539f\u5b50\u306e U<\/em>iso<\/sub>\uff08\u7b49\u65b9\u6027\u539f\u5b50\u5909\u4f4d\u30d1\u30e9\u30e1\u30fc\u30bf\uff09\u306e\u6e29\u5ea6\u4f9d\u5b58\u6027\u3002\u5b9f\u7dda\u306f\u539f\u70b9\u3092\u901a\u308a\u3001\u7834\u7dda\u306f\u3001Einstein<\/em> \u30e2\u30c7\u30eb\u3067\u88dc\u6b63\u3055\u308c\u305f 5\u00d75\u00d75 \u30b9\u30fc\u30d1\u30fc\u30bb\u30eb\u306eUiso<\/sub>\u3092\u793a\u3059\u3002\u683c\u5b50\u5b9a\u6570+0.15%\u306e\u70b9\u306f\u3001300K \u306b\u304a\u3051\u308b\u683c\u5b50\u81a8\u5f35\u3092\u8003\u616e\u3059\u308b\u305f\u3081\u306b\u3001\u683c\u5b50\u5b9a\u6570\u3092 0.15% \u5897\u52a0\u3055\u305b\u305f5 \u00d75\u00d75 \u30b9\u30fc\u30d1\u30fc\u30bb\u30eb\u306e\u8a08\u7b97\u7d50\u679c\u3067\u3042\u308b\u3002<\/sub><\/em><\/figcaption><\/figure>\n\n\n\n
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\u56f32: Ag\u2088SnSe\u2086 \u306e\u7d50\u6676\u69cb\u9020\u3068Ag \u539f\u5b50\u306e\u7570\u65b9\u6027ADP\u3002\u7070\u8272\u3001\u7d2b\u8272\u3001\u304a\u3088\u3073\u7dd1\u8272\u306e\u5186\u306f\u3001\u305d\u308c\u305e\u308c Ag\u3001Sn\u3001\u304a\u3088\u3073 Se \u30b5\u30a4\u30c8\u3092\u8868\u3059\u3002300 K \u306b\u304a\u3051\u308b U<\/strong> \u306b\u57fa\u3065\u304d\u3001(a) \u306f\u5b9f\u9a13\u7684\u306b\u5f97\u3089\u308c\u305f[3] Ag1 \u304a\u3088\u3073 Ag3 \u306e\u307f\u3092\u3001(b) \u306f\u8a08\u7b97\u306b\u3088\u3063\u3066\u7b97\u51fa\u3057\u305f Ag1 \u304b\u3089 Ag5 \u306e\u5168\u3066\u306e\u30b5\u30a4\u30c8\u3092\u793a\u3059\u3002<\/figcaption><\/figure>\n\n\n\n

MgO\u3067\u306f\u3001\u8a08\u7b97\u7d50\u679c\u304c\u6e29\u5ea6\u306b\u5bfe\u3057\u3066\u307b\u307c\u7dda\u5f62\u306b\u5909\u5316\u3057\u3001\u91cf\u5b50\u529b\u5b66\u7684\u52b9\u679c\u3092\u52a0\u3048\u308b\u3053\u3068\u3067\uff08\u7834\u7dda\uff09\u3001\u5ba4\u6e29 \u3067 0.0042 \u00c5\u00b2 \u3068XRD \u306b\u3088\u308b\u5b9f\u9a13\u5024 0.0038\uff0d0.0040 \u00c5\u00b2 [2]\u3068\u826f\u597d\u306b\u4e00\u81f4\u3057\u307e\u3057\u305f\uff08\u56f31\uff09\u3002Ag\u2088SnSe\u2086\u3067\u306f\u3001Ag\u539f\u5b50\u306e\u5927\u304d\u306a\u7570\u65b9\u6027\u3068\u300c\u30e9\u30c8\u30ea\u30f3\u30b0\u300d\u6319\u52d5\u304c\u518d\u73fe\u3055\u308c\u3001\u30b5\u30a4\u30c8\u5206\u88c2\u306e\u53ef\u80fd\u6027\u3092\u793a\u5506\u3059\u308b\u7d50\u679c\u304c\u5f97\u3089\u308c\u307e\u3057\u305f\uff08\u56f32\uff09\u3002 300 K \u306b\u304a\u3044\u3066\u3001\u7570\u65b9\u6027\u306e\u5927\u304d\u3044 Ag3, Ag1 \u30b5\u30a4\u30c8\u306e \u6955\u5186\u5f62\u306e \u9577\u8ef8\u3068\u77ed\u8ef8\u306e\u6bd4\u7387 U<\/em>3<\/sub>\/U<\/em>1<\/sub> \u306f\u5b9f\u9a13\u306b\u5bfe\u3057\u3066 \u305d\u308c\u305e\u308c -15.8%, -17.6%\u3001\u6955\u5186\u5f62\u306e\u5927\u304d\u3055\u3092\u8868\u3059 U<\/em>iso<\/sub> \u306f -5%, -12% \u306e\u76f8\u5bfe\u8aa4\u5dee\u3092\u793a\u3057\u307e\u3057\u305f\uff08\u88681\uff09\u3002<\/p>\n\n\n\n

\u8ad6\u6587[1]\u3067\u306f\u305d\u306e\u4ed6\u306e\u71b1\u96fb\u6750\u6599\u306e\u7d50\u679c\u3082\u793a\u3057\u307e\u3057\u305f\u3002Na\u2082In\u2082Sn\u2084\u3067\u306f\u3001200 K\u4ee5\u4e0a\u3067\u539f\u5b50\u306e\u79fb\u52d5\u304c\u9855\u8457\u3068\u306a\u308a\u3001\u8a08\u7b97\u5024\u304c\u5b9f\u9a13\u5024\u3092\u5927\u304d\u304f\u4e0a\u56de\u308b\u3053\u3068\u304b\u3089\u3001\u62e1\u6563\u6319\u52d5\u306e\u5f71\u97ff\u3092\u8003\u616e\u3059\u308b\u5fc5\u8981\u6027\u304c\u660e\u3089\u304b\u306b\u306a\u308a\u307e\u3057\u305f\u3002BaCu\u2081.\u2081\u2084In\u2080.\u2088\u2086P\u2082\u3067\u306f\u3001Cu\/In\u30b5\u30a4\u30c8\u306e\u4e0d\u898f\u5247\u6027\u306b\u3088\u308a\u3001ADP\u306e\u300c\u539f\u5b50\u5358\u4f4d\u300d\u3068\u300c\u30b5\u30a4\u30c8\u5358\u4f4d\u300d\u3067\u5927\u304d\u306a\u5dee\u304c\u751f\u3058\u308b\u3053\u3068\u304c\u78ba\u8a8d\u3055\u308c\u307e\u3057\u305f\u3002<\/p>\n\n\n\n

\u4eca\u5f8c\u306f\u3001\u3088\u308a\u9577\u6642\u9593\u306e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3084\u5927\u898f\u6a21\u30b9\u30fc\u30d1\u30fc\u30bb\u30eb\u3092\u7528\u3044\u305f\u7d71\u8a08\u7cbe\u5ea6\u306e\u5411\u4e0a\u3001\u91cf\u5b50\u52b9\u679c\u3092\u8003\u616e\u3057\u305f\u30bc\u30ed\u70b9\u904b\u52d5\u306e\u76f4\u63a5\u5c0e\u5165\u304c\u8ab2\u984c\u3067\u3059\u3002\u307e\u305f\u3001ADP\u306e\u7570\u5e38\u6319\u52d5\u3092\u5229\u7528\u3057\u305f\u71b1\u96fb\u6027\u80fd\u5411\u4e0a\u3084\u3001\u7d50\u6676\u69cb\u9020\u306e\u7cbe\u5bc6\u5316\u3078\u306e\u5fdc\u7528\u304c\u671f\u5f85\u3055\u308c\u307e\u3059\u3002\u672c\u624b\u6cd5\u306f\u3001\u5f93\u6765\u56f0\u96e3\u3067\u3042\u3063\u305f\u7f6e\u63db\u4e0d\u898f\u5247\u6027\u3084\u5206\u88c2\u30b5\u30a4\u30c8\u3092\u542b\u3080\u6750\u6599\u306e\u69cb\u9020\u89e3\u6790\u306b\u65b0\u3057\u3044\u53ef\u80fd\u6027\u3092\u958b\u304f\u3082\u306e\u3067\u3042\u308a\u3001\u4eca\u5f8c\u306e\u6750\u6599\u8a2d\u8a08\u3084\u6a5f\u80fd\u63a2\u7d22\u306b\u304a\u3044\u3066\u6709\u529b\u306a\u30c4\u30fc\u30eb\u3068\u306a\u308b\u3068\u8003\u3048\u3089\u308c\u307e\u3059\u3002<\/p>\n\n\n\n

\u88681:  300K \u306b\u304a\u3051\u308b Ag\u2088SnSe\u2086 \u4e2d\u306eAg \u306e U<\/strong> [\u00c52<\/sup>]<\/p>\n\n\n\n

\"\"<\/figure>\n\n\n\n

\u8a08\u7b97\u6761\u4ef6<\/h2>\n\n\n\n
\u9805\u76ee<\/th>\u8a73\u7d30<\/th><\/tr><\/thead>
\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb<\/td>PFP v7.0.0 CRYSTAL<\/td><\/tr>
\u8a08\u7b97\u6761\u4ef6<\/td>MgO\u300050,000 \u30b9\u30c6\u30c3\u30d7\u3001 2fs\u30011000\u539f\u5b50
Ag8<\/sub>SnSe6<\/sub> 60,000\u30b9\u30c6\u30c3\u30d7\u30012fs \u3001810\u539f\u5b50<\/td><\/tr>
\u6e29\u5ea6<\/td>MgO 50-500K
Ag8<\/sub>SnSe6<\/sub> 50-300K<\/td><\/tr>
\u30a2\u30f3\u30b5\u30f3\u30d6\u30eb<\/td>NVT<\/td><\/tr><\/tbody><\/table><\/figure>\n\n\n\n

\u53c2\u8003\u6587\u732e<\/h2>\n\n\n\n

[1] Hinuma, Y., Acta Cryst<\/em>, A81<\/strong>, 279 (2025) DOI<\/strong> 10.1107\/S2053273325004620 [orcid.org]<\/a>, [journals.iucr.org]<\/a><\/p>\n\n\n\n

[2] Lawrence, J. L., Acta Cryst. <\/em>A29<\/strong>, 94 (1973); Sasaki, S., et al<\/em>., Proc. Jpn. Acad. Ser<\/em>. B<\/em> 55<\/strong>, 43 (1979); Tsirelson V. G., et al<\/em>., Acta Cryst. <\/em>B54<\/strong>, 8 (1998)<\/p>\n\n\n\n

[3] Takahashi, S., et al<\/em>., Cryst. Growth Des.<\/em> 24<\/strong>, 6267 (2024)<\/p>\n\n\n\n

\u4e8b\u4f8b\u63d0\u4f9b\u8005\u30d7\u30ed\u30d5\u30a3\u30fc\u30eb<\/h2>\n\n\n\n
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