On the solubility of yttrium in RuO2

被引：5
作者：
Music, Denis [1 ]
Zumdick, Naemi A. [1 ]
Hallstedt, Bengt [1 ]
Schneider, Jochen M. [1 ]
机构：
[1] Rhein Westfal TH Aachen, D-52056 Aachen, Germany
来源：
JOURNAL OF APPLIED PHYSICS | 2011年 / 110卷 / 05期
关键词：
INITIO MOLECULAR-DYNAMICS; CHEMICAL-VAPOR-DEPOSITION; AUGMENTED-WAVE METHOD; THERMOELECTRIC-MATERIALS; ELECTRON-GAS; THIN-FILMS; TRANSITION; PSEUDOPOTENTIALS; SIMULATION; NANORODS;
D O I：
10.1063/1.3633234
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We have investigated the solubility of Y in rutile RuO(2) using experimental and theoretical methods. Nanostructured Ru-Y-O thin films were synthesized via combinatorial reactive sputtering with an O/metal ratio of 2.6 and a Y content of 0.3 to 12.6 at. %. A solubility limit of 1.7 at. % was identified using x-ray photoelectron spectroscopy and x-ray diffraction. Based on ab initio and thermodynamic modeling, the solubility of Y can be understood. Smaller Y amounts are incorporated into the lattice, forming a metastable film, with local structural deformations due to size effects. As the Y content is increased, extensive local structural deformations are observed, but phase separation does not occur due to kinetic limitations. Nanostructured RuO(2) alloyed with Y might lead to enhanced phonon scattering and quantum confinement effects, which in turn improve the thermoelectric efficiency. (C) 2011 American Institute of Physics. [doi:10.1063/1.3633234]
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页数：6
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