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- Senami Masato
- Department of Micro Engineering, Kyoto University
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- Ogiso Youji
- Department of Micro Engineering, Kyoto University
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- Miyazato Toshihide
- Department of Micro Engineering, Kyoto University
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- Yoshino Fumiya
- Department of Micro Engineering, Kyoto University
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- Ikeda Yuji
- Department of Micro Engineering, Kyoto University
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- Tachibana Akitomo
- Department of Micro Engineering, Kyoto University
抄録
The simulation code to study the dielectric property of nuclei and electrons in nanosize materials based on Rigged QED is developed in our group. In this article, the progress of our code is reported. As the first target, the dependence of dielectric response on the frequency of external electric fields is shown for simple atoms. In addition, for its basic data, the electronic contribution to local polarizability of molecules with covalent bonds, particularly some simple hydride, such as CH4 and NH3 are studied for wave packet derived by ab initio computations. This is also for the purpose of the systematic comprehension of the local dielectric property of nanosize materials, particularly high-k materials, for example HfO2. The relations between the pattern of the local polarizability density on the bonding axis, the bond length, and the atomic radius are paid attention to.
収録刊行物
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- Transactions of the Materials Research Society of Japan
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Transactions of the Materials Research Society of Japan 38 (4), 535-544, 2013
一般社団法人 日本MRS
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詳細情報 詳細情報について
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- CRID
- 1390282680489367808
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- NII論文ID
- 130005004249
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- ISSN
- 21881650
- 13823469
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- Crossref
- CiNii Articles
- KAKEN
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- 抄録ライセンスフラグ
- 使用不可