Behavior of 3d-transition metals in different SiC polytypes

Justo JF; Machado WVM; Assali LVC

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Behavior of 3d-transition metals in different SiC polytypes

机译：不同SiC多晶型3d过渡金属的行为

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The electronic and structural properties of isolated 3d-transition metal impurities in 3C-, 4H-, and 2H-SiC polytypes have been investigated by total energy ab initio methods. The configurational stability, spin states, formation and transition energies of substitutional (Si sub-lattice) Ti, V, and Cr impurities in several charge states have been computed. Our results are discussed in the context of available experimental data on electrically active centers in SiC. (c) 2005 Elsevier B.V. All rights reserved.

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《Physica, B. Condensed Matter》 |2006年第0期|共4页
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Justo JF; Machado WVM; Assali LVC;
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正文语种 eng
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transition metals; magnetic impurities; silicon carbide; SILICON-CARBIDE; DEEP LEVELS; BAND-GAP; LEVEL; TRANSITION; IMPURITIES; CENTERS; DEFECTS; STATES; CR;

机译：过渡金属;磁性杂质;碳化硅;碳化硅;深层;带隙;水平;过渡;杂质;中心;缺陷;状态;CR;

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1. Behavior of 3d-transition metals in different SiC polytypes [J] . Justo JF, Machado WVM, Assali LVC Physica, B. Condensed Matter . 2006,第0期

机译：不同SiC多晶型3d过渡金属的行为
2. Surface relaxation and oxygen adsorption behavior of different SiC polytypes: A first-principles study [J] . Wang J., Zhang L., Zeng Q., Journal of Physics. Condensed Matter . 2010,第26期

机译：不同SiC多型体的表面弛豫和氧吸附行为：第一性原理研究
3. Transition Metal Defects in Cubic and Hexagonal Polytypes of SiC: Site Selection, Magnetic and Optical Properties from ab initio Calculations [J] . V. lvady, B. Somogyi, V. Z6lyomi, Materials science forum . 2012,第PTa1期

机译：SiC立方和六边形多型态中的过渡金属缺陷：位置选择，从头算计算得到的磁性和光学性质
4. Behavior of 3d-transition metals in different SiC polytypes [C] . J.F. Justo, W.V.M. Machado, L.V.C. Assali International Conference on Defects in Semiconductors . 2006

机译：不同SIC Polytype中的3D-过渡金属的行为
5. THEORETICAL STUDIES OF ORGANOMETALLIC COMPLEXES: I. COUPLING OF MULTIPLY BONDED ORGANIC MOIETIES ON ONE-, TWO- AND THREE-METAL FRAMEWORKS. II. METALLACYCLOBUTANE ISOMERIZATION. III. ELECTRON ENERGY LOSS SPECTROSCOPY OF 3D-TRANSITION METAL OXIDES [D] . WILKER, CHARLES NEIL 1983

机译：有机络合物的理论研究：I.一键，两键和三键骨架上多重键合的有机部分的偶联。二。金属环戊烷异构化。三， 3D过渡金属氧化物的电子能谱
6. Spectroscopic Theoretical and Antioxidant Study of 3d-Transition Metals (Co(II) Ni(II) Cu(II) Zn(II)) Complexes with Cichoric Acid [O] . Grzegorz Świderski, Agata Jabłońska-Trypuć, Monika Kalinowska, 2020

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7. 4H-polytype AlN grown on 4H-SiC(11(2)over-bar0) substrate by polytype replication [O] . Onojima N, Suda J, Kimoto T, 2003

机译：通过多型复制在4H-SiC（11（2）-bar0）衬底上生长的4H-多型AlN
8. On the Wurtzite-Type SiC Whiskers Obtained by Sublimation and the Thermal Stability of Basic SiC Polytypes, [R] . inomata, yoshizo inoue, zenzaburo 1971

机译：通过升华获得的纤锌矿型siC晶须及基本siC多型体的热稳定性，

Behavior of 3d-transition metals in different SiC polytypes

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