Nuclear quadrupole interaction at ~(44)Sc in the anatase and rutile modifications of TiO_2: Time- differential perturbed-angular-correlation measurements and ab initio calculations

Seung-baek Ryu; Satyendra K. Das; Tilman Butz; Werner Schmitz

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Nuclear quadrupole interaction at ~(44)Sc in the anatase and rutile modifications of TiO_2: Time- differential perturbed-angular-correlation measurements and ab initio calculations

机译：TiO_2的锐钛矿型和金红石型修饰在〜（44）Sc处的核四极相互作用：时差扰动-角相关测量和从头算

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The nuclear quadrupole interaction of the first excited I= 1 state of ~(44)Sc in the anatase and rutile modifications of bulk TiO_2 was determined by time-differential perturbed-angular correlation of γ rays. New LaBr_3(Ce) scintillators with excellent en

机译：锐钛矿中〜（44）Sc的第一激发态I = 1的核四极相互作用和锐钛型TiO_2的金红石变型是通过γ射线的时差扰动-角相关来确定的。新型LaBr_3（Ce）闪烁体具有出色的发光性能

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《Physical review》 |2008年第9期|293-299|共7页
作者
Seung-baek Ryu; Satyendra K. Das; Tilman Butz; Werner Schmitz;
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inorganic compounds; moesbauer effect; other gamma-ray spectroscopy; basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.);

机译：无机化合物莫斯鲍尔效应其他γ射线光谱学;基本集（LCAO;平面波;APW等）和相关方法（散射方法;ASA;线性化方法等）;

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2. Electronic and optical properties of aluminium-doped anatase and rutile TiO_2 from ab initio calculations [J] . Raphael Shirley, Markus Kraft, Oliver R. Inderwildi Physical review . 2010,第7期

机译：从头算计算铝掺杂锐钛矿和金红石型TiO_2的电子和光学性质
3. The temperature dependence of the nuclear quadrupole interaction of ~(44)Ti(EC)~(44)Sc in rutile [J] . Butz T., Vianden R. Hyperfine Interactions: Journal Devoted to Research in the Border Regions of Solid State, Atomic and Nuclear Physics . 2013,第1a3期

机译：金红石中〜（44）Ti（EC）〜（44）Sc核四极相互作用的温度依赖性
4. Multi-Scale Modelling of Low Index Rutile TiO_2 Surfaces with a Tight-Binding Variable-Charge Model and Ab Initio calculations [C] . R. Tetot, A. Hallil, E. Amzallag, International Forum on Advanced Material Science and Technology;IFAMST-7 . 2011

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7. Ab initio calculations of the electron-phonon interaction and characteristics of large polarons in rutile and anatase [O] . Zhukov Vladlen P., Chulkov Eugene V. 2016

机译：金红石和锐钛矿中电子-声子相互作用和大极化子特性的从头算

Nuclear quadrupole interaction at ~(44)Sc in the anatase and rutile modifications of TiO_2: Time- differential perturbed-angular-correlation measurements and ab initio calculations

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