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    Title: 密度泛函微擾理論在微波介電材料Ba(Mg1/3Ta2/3)O3上的聲子計算
    Authors: 李維崇;李世綸;林諭男;薛宏中;鄭秀鳳
    Contributors: 淡江大學物理學系
    Keywords: 密度泛函理論;聲子;Density functional theory;Phonon;Ba(Mg1/3Ta2/3)O3
    Date: 2006-11
    Issue Date: 2014-06-24 10:00:32 (UTC+8)
    Publisher: 臺南市:成功大學
    Abstract: 此次研究乃是利用第一原理計算來對於微波介電材料Ba(Mg1/3Ta2/3)O3進行材模擬計算,使用密度泛函微擾理論來計算Ba(Mg1/3Ta2/3)O3材料在Γ點上的晶格震盪,以線性響應方法求得其聲子的頻率及震動模式。並以計算的結果來和Raman實驗與FTIR實驗結果比對分析。
    Relation: 2006年中國材料科學學會年會論文集,4頁
    Appears in Collections:[物理學系暨研究所] 會議論文

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