Modeling of IR Absorption Spectra of Impurity Defects in Diamond Nanoclusters

E. V. Sokolenko

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Modeling of IR Absorption Spectra of Impurity Defects in Diamond Nanoclusters

机译：金刚石纳米团簇中杂质缺陷的红外吸收光谱建模

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IR absorption spectra of diamond nanoclusters are calculated by a semiempirical method (with PM3 parameterization), and the effects of cluster size, impurities, and native defects on the position and strength of absorption bands are examined.

机译：通过半经验方法（使用PM3参数化）计算金刚石纳米团簇的红外吸收光谱，并研究团簇尺寸，杂质和天然缺陷对吸收带的位置和强度的影响。

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来源
《Inorganic materials》 |2014年第3期|246-252|共7页
作者
E. V. Sokolenko;
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作者单位

Russian State Social University (Stavropol Branch),Oktyabr'skaya ul. 66, Stavropol, 355001 Russia;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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正文语种 eng
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3. Quantum Chemical Modeling of Photoabsorption Properties of Two- and Three-Nitrogen Vacancy Point Defects in Diamond [J] . A. S. Zyubin, A. M. Mebel, M. Hayashi The journal of physical chemistry, C. Nanomaterials and interfaces . 2009,第24期

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4. Development of program package for investigation and modeling of carbon nanostructures in diamond like carbon films with the help of raman scattering and infrared absorption spectra line resolving [C] . David B. Hayrapetyan, Levon T. Hovhannisyan, Paytsar A. Mantashyan Conference on optical measurement systems for industrial inspection VIII . 2013

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5. The vibrational spectra of diamond polytypes and defects in diamond and cubic boron nitride. [D] . Phelps, Andrew Wells. 1990

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Modeling of IR Absorption Spectra of Impurity Defects in Diamond Nanoclusters

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