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LOCAL-STRUCTURE OF THE AXIAL FE3+ CENTER IN THE K+ SITE OF A KTAO3 CRYSTAL

Physical Review B

In order to understand the unusually large value of zero-field splitting D for the axial Fe3+ center in a KTaO3 crystal, Zhou made two assumptions in his recent report [Phys. Rev. B 42, 917 (1990)]. In this Comment we will show that his assumption II is qualitatively reasonable, whereas assumption I is unnecessary and doubtful.

关键词: electric-field;srcl2

Cu-Zr/ZrN薄膜体系的电阻率和纳米压入研究

白宣羽 , 汪渊 , 徐可为

稀有金属材料与工程

采用磁控溅射方法在Si(111)基片上沉积Cu-Zr/ZrN薄膜体系作为扩散阻挡层.通过比较Cu-Zr/ZrN薄膜体系和三元非晶(Mo,Ta,W)-Si-N的电阻率,同时比较Cu-Zr/ZrN薄膜体系和Ta,YaN的硬度,说明作为扩散阻挡层的材料的选取,应从整体性能上考虑,而不能仅仅考虑热稳定性等单一指标.

关键词: 非晶 , 电阻率 , 纳米压入 , 硬度

First-principle study of electronic properties of Ti3Si1-xAlxC2 solid solutions

Journal of Physics and Chemistry of Solids

The layered ternary ceramics Ti3SiC2 and Ti3AlC2 are isostructural and can form Ti3Si1-xAlxC2 solid solutions combining the advanced properties of both compounds [H.B. Zhang, Y.C. Zhou, Y.W. Bao, M.S. Li, Improving the oxidation resistance of Ti3SiC2 by forming a Ti3Si0.90Al0.1C2 solid solution, Acta Mater. 52 (2004) 3631-3637; E.D. Wu, J.Y. Wang, H.B. Zhang, Y.C. Zhou, K. Sun, Y.J. Xue, Neutron diffraction studies of Ti3Si0.9Al0.1C2 compound, Mater. Lett. 59 (2005) 2715-2719; J.Y. Wang, Y.C. Zhou, First-principles study of equilibrium properties and electronic structure of Ti3Si0.75Al0.25C2 solid solution, J. Phys.: Condens. Matter 15 (2003) 5959-5968; Y.C. Zhou, J.X. Chen, J.Y. Wang, Strengthening of Ti3AlC2 by incorporation of Si to form Ti3Al1-xSixC2 solid solutions, Acta. Mater. 54 (2006) 1317-1322]. In the present work, the solid solutions of Ti3Si1-xAlxC2 (x = 0, 0.25, 0.33, 0.5, 0.67, 0.75, 1) are investigated by first-principle calculations based on pseudo-potential plan-wave method within the density functional theory framework. The results show that as Al content increases in the solid solution, all the bonds have weakened to certain extents, which lead to an unstable structure both energetically and geometrically. The calculated results are compared and discussed with the reported data for the Ti3Si1-xAlxC2 solid solutions. (c) 2007 Elsevier Ltd. All rights reserved.

关键词: ceramics;ab initio calculations;electronic structure;electrical;conductivity;oxidation behavior;mechanical-properties;ti3sic2;temperature;ti3alc2;air;si

Studies of the g factors and the local structure for Ni3+in LaAl0.9Ni0.1O3, La0.75Y0.25Al0.99Ni0.01O3 and YAl0.9Ni0.1O3

Radiation Effects and Defects in Solids

The electron paramagnetic resonance g factors and the local structure for Ni3+ in LaAl0.9Ni0.1O3 (LAN), La0.75Y0.25Al0.99Ni0.01O3 (LYAN) and YAl0.9Ni0.1O3 (YAN) are theoretically studied from the perturbation formulas of the g factors for a 3d7 ion of low spin (S = 1/2) in tetragonally elongated octahedra. In these formulas, the contributions to the g factors from the tetragonal distortion, characterized by the tetragonal field parameters Ds and Dt are taken into account. According to the calculations, the ligand octahedra around Ni3+ are suggested to suffer 2% relative elongation along the [001] (or C4) axis due to the Jahn-Teller effect.

关键词: defect structures;electron paramagnetic resonance;crystal-fields and;spin Hamiltonians;Ni3+;LaAlO3;LaYAlO3;YAlO3;atomic screening constants;optical-spectra;paramagnetic-resonance;superconducting tapes;lattice-distortions;superposition model;scf;functions;cr3+ ions;crystals;epr

非微扰QCD和核遮蔽效应对K因子的影响

智海素 , 侯召宇

原子核物理评论 doi:10.3969/j.issn.1007-4627.2006.01.002

考虑非微扰量子色动力学物理真空夸克凝聚效应,计算了碳核与碳核在质心系能量分别为630和200 GeV时碰撞Drell-Yan过程的K因子,以及加入核遮蔽因子后非微扰效应对K因子的影响,并把计算结果与没有考虑夸克凝聚非微扰效应的K值进行了对比.结果表明,非微扰效应和核遮蔽效应对K因子影响很小.

关键词: K因子 , Drell-Yan过程 , 夸克凝聚 , 非微扰量子色动力学 , 核遮蔽效应

SYNTHESIS OF TiN FILM WITH ION BEAM ENHANCED DEPOSITION AND ITS PROPERTIES

ZHOU Jiankun LIU Xianghuai CHEN Youshan WANG Xi ZHENG Zhihong HUANG Wei ZOU Shichang Shanghai Institute of Metallurgy , Academia Sinica , Shanghai , China

金属学报(英文版)

The TiN films were synthesized with an alternate process of depositing titanium from a E-gun evaporation source and 40 keV N~+ bombarding onto the target.It is shown from the composi- tion analysis and structure investigations using RBS,AES,TEM,XPS and X-ray diffraction spectrum that the formed fihns are mainly composed of TiN phase with grain size of 30—40 nm and without preferred orientation,the nitrogen content in the film is much less than that in case without N~+ bombarding,and an intermixed region about 40 nm thick exists between the film and the substrate.The films exhibt high microhardness and low friction. ZHOU Jiankun,Ion Beam Laboratory,Shanghai Institute of Metallurgy,Academia Sinica, Shanghai 200050,China

关键词: TiN film , null

ABSORPTION-SPECTRUM AND ZERO-FIELD SPLITTING OF Y3FE5O12

Physical Review B

The assignment of the absorption spectrum of Y3Fe5O12 (YIG) made by Scott et al. [Phys. Rev. B 10, 971 (1974)] is shown to be incorrect and a new one is made by diagonalizing the complete cubic crystal-field matrices for d5 ions, involving spin-orbit interaction, given by Zhou et al. [Phys. Rev. B 44, 7499 (1991)]. The Racah parameters B and C, the crystal-field parameter Dq, and the spin-orbit coupling coefficient zeta are determined (in units of cm-1) as B = 783.3(530), C = 2928(3220), Dq = 1336(1300), zeta = 395 for octahedral Fe3+, and B = 606.1(705), C = 2696(2730), Dq = -1117.3(560), zeta = 335 for tetrahedral Fe3+, where the numerals in parentheses are the values adopted by Scott et al. Furthermore, the cubic zero-field splitting parameter a of Fe3+ in YIG is calculated to be a(oct) = 156 X 10(-4) cm-1 and a(tet) = 58.6 X 10(-4) cm-1. The value for a(oct) differs from the value of 189 X 10(-4) cm-1 found for Fe3+ in Y3Ga5O12:Fe3+. These results support speculations made by Geschwind [Phys. Rev. 121, 363 (1961)].

关键词: fe3+;mn2+

天然气井油管悬挂器腐蚀失效分析

刘守平 , 周上祺 , 王佳眉 , 任勤

腐蚀科学与防护技术

用金相显微镜、扫描电镜、X射线衍射仪和X射线能谱仪对天然气井油管悬挂器腐蚀失效进行了检测分析,并对天然气井油管悬挂器用35CrMo钢进行了盐雾试验,结果表明,天然气中的水和CO2是引起腐蚀的主要介质,腐蚀产物主要是FeCO3,高速天然气冲刷和钢中的非金属夹杂加剧了腐蚀的速度. CORROSION FAILURE ANALYSIS OF AN OIL TUBE USED IN NATURAL GAS WELL LIU Shou-ping,ZHOU Shang-qi,WANG Jia-mei,REN Qin Chongqing University A failed oil tube used in natural gas well was examined by optical microscope,scanning electron microscope ,X-ray diffractometer and X-ray spectrometer.Corrosion behavior of 35CrMo steel samples of the oil tube were investigated by means of salt spray tests in the laboratory.The results show that CO2 and H2O are primary factors in the corrosion of oil tube.The corrosion product is FeCO3,non-metallic inclusions in the steel and erosion of natural gas fluid played an important role in accelerating the corrosion. oil tube; natural gas well; 35CrMo steel; failure analysis; corrosion

关键词: 悬挂器 , null , null , null

铽铝硼硅酸盐磁光玻璃形成性能及热稳定性研究

章春香 , 殷海荣 , 刘立营 , 唐保军

材料导报

采用Zhou W C提出的玻璃形成区研究方法探索了铽硼硅酸盐磁光玻璃形成区域范围,采用魔角核磁共振谱仪(MAS NMR)和示差扫描量热仪(DSC)对玻璃结构和特征温度能进行了表征,研究了Tb2O3和Al2O3对玻璃形成能力和玻璃结构的影响,同时引入玻璃析晶参数β讨论玻璃热稳定性.结果表明:Tb2O3的掺入量受玻璃形成区域的限制,在Tb2O3含量为30%(摩尔分数)时以及Al2O3含量为25%(摩尔分数)时玻璃形成能力较强;铽铝硼硅酸盐玻璃结构中硼氧多面体和铝氧多面体主要以四配位的[BO4]和[AlO4]形式存在,仍存在少量三配位的[BO3]和五配位的[AlO5];Tb2O3含量为30%(摩尔分数)的玻璃β值较大,热稳定性能较好.

关键词: 铝硼硅酸盐玻璃 , 磁光玻璃 , 玻璃成形区 , 氧化铽 , 稀土

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