Acta Metall Sin  1989, Vol. 25 Issue (2): 15-21    DOI:

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ELECTRONIC STRUCTURE OF Cu DOPED RECo_5 TYPE INTERMETALLIC COMPOUNDS

LIU Senying;GAO Zhe;LI Keng;LI Junqing;WANG Congyu University of Science and Technology Beijing China University of Science and Technology Beijing Central Iron and Steel Research Institute

LIU Senying;GAO Zhe;LI Keng;LI Junqing;WANG Congyu University of Science and Technology Beijing China University of Science and Technology Beijing Central Iron and Steel Research Institute. ELECTRONIC STRUCTURE OF Cu DOPED RECo_5 TYPE INTERMETALLIC COMPOUNDS. Acta Metall Sin, 1989, 25(2): 15-21.

Abstract References Related Articles Recommended Metrics Download:  PDF(508KB)  Export:  BibTeX | EndNote (RIS)       Abstract  Based on the feature of crystal sites occupied by alloying elements, amodel cluster, investigating the interaction mechanisms of nonmagnetic element Cuin RECo_5 type alloy, has been presented. The electronic structure has been calcula-ted with SCF-X_α-SW method. The calculating results show that, after Cu replaced2c crystal site Co, the energy spectrum of the model cluster will move towards shal-low trap potential, energy gap will become small, the charge among the atoms willredistribute, and some new states to which impurity contributes will produce. Partial-wave local density of states gives the interactions between atoms. Results of Hellm-man-Feynman force show that thermal expansion anisotropy of the model clusterdecreases considerably after Cu substitutes for 2c crystal site Co. Key words:  intermetallic compound      electronic structure      Received:  18 February 1989      Service E-mail this article Add to citation manager E-mail Alert RSS （） Articles by authors URL:  https://www.ams.org.cn/EN/     OR     https://www.ams.org.cn/EN/Y1989/V25/I2/15 1 杨应昌,何文望,林勤.金属学报,1981;17:67 2 孙天铎,祝景汉,王德文.金属学报,1979;15:58 3 Slater J C, Johnson K H. Phys Rev, 1972; B5: 844 4 Johnson K H, Smith F C Jr. Phys Rev, 1972; B5: 831 5 Norman J G Jr. J Chem Phys, 1974; 61: 4630 6 Case D A, Karplus M. Chem Phys Lett, 1976; 39; 33 7 Case D A, Karplus M. J Am Chem Soc, 1977; 99: 6182f [1] DING Zongye, HU Qiaodan, LU Wenquan, LI Jianguo. In Situ Study on the Nucleation, Growth Evolution, and Motion Behavior of Hydrogen Bubbles at the Liquid/ Solid Bimetal Interface by Using Synchrotron Radiation X-Ray Imaging Technology[J]. 金属学报, 2022, 58(4): 567-580. [2] HUANGFU Hao, WANG Zilong, LIU Yongli, MENG Fanshun, SONG Jiupeng, QI Yang. A First Principles Investigation of W1 - x Ir x Alloys: Structural, Electronic, Mechanical, and Thermal Properties[J]. 金属学报, 2022, 58(2): 231-240. [3] ZHOU Lijun, WEI Song, GUO Jingdong, SUN Fangyuan, WANG Xinwei, TANG Dawei. Investigations on the Thermal Conductivity of Micro-Scale Cu-Sn Intermetallic Compounds Using Femtosecond Laser Time-Domain Thermoreflectance System[J]. 金属学报, 2022, 58(12): 1645-1654. [4] WANG Shuo, WANG Junsheng. Structural Evolution and Stability of the δ′/θ′/δ′ Composite Precipitate in Al-Li Alloys: A First-Principles Study[J]. 金属学报, 2022, 58(10): 1325-1333. [5] Hua JI,Yunlai DENG,Hongyong XU,Weiqiang GUO,Jianfeng DENG,Shitong FAN. The Influence of Welding Line Energy on the Microstructure and Property of CMT Overlap Joint of 5182-Oand HC260YD+Z[J]. 金属学报, 2019, 55(3): 376-388. [6] Liqun CHEN, Zhengchen QIU, Tao YU. Effect of Ru on the Electronic Structure of the [100](010) Edge Dislocation in NiAl[J]. 金属学报, 2019, 55(2): 223-228. [7] CAO Lihua, CHEN Yinbo, SHI Qiyuan, YUAN Jie, LIU Zhiquan. Effects of Alloy Elements on the Interfacial Microstructure and Shear Strength of Sn-Ag-Cu Solder[J]. 金属学报, 2019, 55(12): 1606-1614. [8] HE Xianmei, TONG Liuniu, GAO Cheng, WANG Yichao. Effect of Nd Content on the Structure and Magnetic Properties of Si(111)/Cr/Nd-Co/Cr Thin Films Prepared by Magnetron Sputtering[J]. 金属学报, 2019, 55(10): 1349-1358. [9] Min ZHANG, Erlong MU, Xiaowei WANG, Ting HAN, Hailong LUO. Microstructure and Mechanical Property of the Welding Joint of TA1/Cu/ X65 Trimetallic Sheets[J]. 金属学报, 2018, 54(7): 1068-1076. [10] Huijun KANG, Jinling LI, Tongmin WANG, Jingjie GUO. Growth Behavior of Primary Intermetallic Phases and Mechanical Properties for Directionally Solidified Al-Mn-Be Alloy[J]. 金属学报, 2018, 54(5): 809-823. [11] Ning ZHAO,Jianfeng DENG,Yi ZHONG,Luqiao YIN. Evolution of Interfacial Intermetallic Compounds in Ni/Sn-xCu/Ni Micro Solder Joints Under Thermomigration During Soldering[J]. 金属学报, 2017, 53(7): 861-868. [12] Zhijie ZHANG,Mingliang HUANG. Liquid-Solid Electromigration Behavior of Cu/Sn-52In/Cu Micro-Interconnect[J]. 金属学报, 2017, 53(5): 592-600. [13] Dawei WANG,Shichao XIU. Effect of Bonding Temperature on the Interfacial Micro-structure and Performance of Mild Steel/Austenite Stainless Steel Diffusion-Bonded Joint[J]. 金属学报, 2017, 53(5): 567-574. [14] Zongyue BI,Jun YANG,Haizhang LIU,Wanpeng ZHANG,Yaobin YANG,Lei TIAN,Xiaojiang HUANG. INVESTIGATION ON THE WELDING PROCESS AND MICROSTRUCTURE AND MECHANICAL PROPERTY OF BUTT JOINTS OF TA1/X65 CLAD PLATES[J]. 金属学报, 2016, 52(8): 1017-1024. [15] Liangshun LUO,Tong LIU,Yanning ZHANG,Yanqing SU,Jingjie GUO,Hengzhi FU. MICROSTRUCTURE EVOLUTION AND GROWTH BE-HAVIORS OF FACETED PHASE IN DIRECTIONALLY SOLIDIFIED Al-Y ALLOYS I. Microstructure Evolution of Directionally Solidified Al-15%Y Hypereutectic Alloy[J]. 金属学报, 2016, 52(7): 859-865. No Suggested Reading articles found! Viewed Full text Abstract Cited   Shared      Discussed