Calculation of chemical bond parameters in La1-xCaxCrO3 (0.0 <= x <= 0.3)
文献类型：期刊论文
| 作者 | Wu ZJ ; Zhang SY |
| 刊名 | international journal of quantum chemistry
 |
| 出版日期 | 1999 |
| 卷号 | 73期号:5页码:433-437 |
| 关键词 | IONICITIES SUSCEPTIBILITIES TEMPERATURE CRYSTAL SOLIDS |
| ISSN号 | 0020-7608 |
| 通讯作者 | wu zj |
| 中文摘要 | the chemical bond parameters, that is, bond covalency, bond susceptibility, and macroscopic linear susceptibility of la1-xcaxcro3 (x = 0.0, 0.1, 0.2, 0.3) has been calculated using a semiempirical method. this method is the generalization of the dielectric description theory proposed by phillips, van vechten, levine, and tanaka (pvlt). in the calculation of bond valence, two schemes were adopted. one is the bond valence sums (bvs) scheme, and the other is the equal-valence scheme. both schemes suggest that for the title compounds bond covalency and bond susceptibility are mainly influenced by bond valence and are insensitive to the ca doping level or structural change. larger bond valences usually result in higher bond covalency and bond susceptibility. the macroscopic linear susceptibility increases (only slightly for bvs scheme) with the increasing ca doping level. (c) 1999 john wiley & sons, inc. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000080461100006 |
| 公开日期 | 2010-11-04 |
| 源URL | [http://202.98.16.49/handle/322003/21853]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wu ZJ,Zhang SY. Calculation of chemical bond parameters in La1-xCaxCrO3 (0.0 <= x <= 0.3)[J]. international journal of quantum chemistry,1999,73(5):433-437. |
| APA | Wu ZJ,&Zhang SY.(1999).Calculation of chemical bond parameters in La1-xCaxCrO3 (0.0 <= x <= 0.3).international journal of quantum chemistry,73(5),433-437. |
| MLA | Wu ZJ,et al."Calculation of chemical bond parameters in La1-xCaxCrO3 (0.0 <= x <= 0.3)".international journal of quantum chemistry 73.5(1999):433-437. |
入库方式： OAI收割
来源：长春应用化学研究所
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