Please wait a minute...
Acta Metall Sin  2006, Vol. 42 Issue (11): 1125-1129     DOI:
Research Articles Current Issue | Archive | Adv Search |
Analysis of Valence Electronic Structures and Properties of MoSi2 And WSi2
PENG Ke; YI Maozhong; RAN Liping
State Key Laboratory for Powder Metallurgy;Central South University; Changsha; 410083
Cite this article: 

PENG Ke; YI Maozhong; RAN Liping. Analysis of Valence Electronic Structures and Properties of MoSi2 And WSi2. Acta Metall Sin, 2006, 42(11): 1125-1129 .

Download:  PDF(695KB) 
Export:  BibTeX | EndNote (RIS)      
Abstract  According to the empirical electron theory of solids and molecules, the valence electron structure of MoSi2 and WSi2 were quantitatively studied, and the values of valence electrons on every bond in MoSi2 and WSi2 crystals were calculated by the method of bond length difference. The results showed that the strongest bonds in the unit cells of MoSi2 and WSi2 were Mo-Si and W-Si bond along <331> direction separately, whose valence electron numbers and the bond energy have great impact on the hardness and melting point of MoSi2 and WSi2 phases, respectively. Since the numbers of lattice electrons in a crystal influence its conductivity and plasticity, and there were lattice electrons with higher densities in MoSi2, the conductivity and plasticity of MoSi2 were better than WSi2. Also, it is infered that the brittleness of MoSi2 and WSi2 could be explained primarily by a heterogeneity of bond distribution.
Key words:  molybdenum disilicide      tungsten disilicide      valence electron      hardness      
Received:  12 April 2006     
ZTFLH:  TG148  

URL: 

https://www.ams.org.cn/EN/     OR     https://www.ams.org.cn/EN/Y2006/V42/I11/1125

[1] Sharif A A, Misra A, Petrovic J J, Mitchell T E. Intermetallics, 2001; 9: 869
[2] Petrovic J J. Intermetallics, 2000; 8: 1175
[3] Sharif A A, Misra A, Petrovic J J, Mitchell T E. Scr Mater, 2001; 44: 879
[4] Petrovic J J, Vasudevan A K. Mater Sci Eng, 1999; A261: 1
[5] Petrovic J J, Honnell R E. Ceram Eng Sci Proc, 1990; 11: 734
[6] Zhang H A, Chen P, Wang M J, Liu X Y. Rare Met, 2002; (4): 304
[7] Bhattacharyya B K, Bylander D M, Kleinman L. Phys Rev, 1985; 32B: 7973
[8] Zachariasen W. Physik Chem, 1927; 128: 39
[9] Mattheiss L F. Phys Rev, 1992; B45: 3252
[10] Harada Y, Morinaga M, Saso D, Takata M, Sakata M. Intermetallics, 1998; 6: 523
[11] Tanaka K, Nawata K, Inui H, Yamaguchi M, Koiwa M. Mater Res Soc Symp Proc, 2001; 646: 4
[12] Zhang R L. Empirical Electron Theory of Solid and Molecules. Changchun: Jilin Science and Technology Publishing House,1993:231 (张瑞林,固体与分子经验电子理论.长春:吉林科学技术出版社.1993:231)
[13] Xu W D, Zhang R L, Yu R H. Sci Chin, 1988; 3A: 323 (徐万东,张瑞林,余瑞璜.中国科学, 1988;3A:323)
[14] Chen S L, Gu Q, Wang Y M. Acta Phys Sin, 1995; 44: 940 (陈舜麟,顾强,王夭民.物理学报, 1995;44:940)
[15] Jia D, Dong Z Z, Yu S J, Liu W X. Rare Met Mater Eng, 1998; 27: 152 (贾堤,董治中,于申军,刘文西.稀有金属材料与工程,1998; 27:152)
[16] Liu L. Rare Met Mater Eng, 1997; 26: 9 (刘宁.稀有金属材料与工程, 1997;26:9)
[17] Wang H R, Ye Y F, Ming G H, Qin J Y, Wang W M. Sci Bull, 2001; 46: 215 (王焕荣,叶以富,闵光辉,秦敬玉,王伟民.科学通报,2001; 46:215)
[18] Zheng Y, Xiong W H, Zong X J. Rare Met Mater Eng, 2002; 31: 13 (郑勇,熊惟皓,宗校军.稀有金属材料与工程,2002;31: 13)
[19] Liu N, Tian C Y, Shu S M, Xu G Y, Zhang R L. J Chin Ceram Soc, 1998; 26: 210 (刘宁,田春艳,舒士明,徐根应,张瑞林.硅酸盐学报,1998; 26:210)
[20] Inui H, Nakamoto T, Ishikawa K, Yamaguchi M. Mater Sci Eng, 1999; A261: 131
[21] James F, Shackelford W A. CRC Materials Science and Engineering Handbook. Boca Raton: CRC Press LLC, 2001: 567
[22] Ito K, Yano T, Nakamoto T, Inui H, Yamaguchi M. Acta Mater, 1999; 47: 937
[1] WANG Haifeng, ZHANG Zhiming, NIU Yunsong, YANG Yange, DONG Zhihong, ZHU Shenglong, YU Liangmin, WANG Fuhui. Effect of Pre-Oxidation on Microstructure and Wear Resistance of Titanium Alloy by Low Temperature Plasma Oxynitriding[J]. 金属学报, 2023, 59(10): 1355-1364.
[2] LIANG Chen, WANG Xiaojuan, WANG Haipeng. Formation Mechanism of B2 Phase and Micro-Mechanical Property of Rapidly Solidified Ti-Al-Nb Alloy[J]. 金属学报, 2022, 58(9): 1169-1178.
[3] WANG Tao, LONG Dijun, YU Liming, LIU Yongchang, LI Huijun, WANG Zumin. Microstructure and Mechanical Properties of 14Cr-ODS Steel Fabricated by Ultra-High Pressure Sintering[J]. 金属学报, 2022, 58(2): 184-192.
[4] XIANG Zhaolong, ZHANG Lin, XIN Yan, AN Bailing, NIU Rongmei, LU Jun, MARDANI Masoud, HAN Ke, WANG Engang. Effect of Cr Content on Microstructure of Spinodal Decomposition and Properties in FeCrCoSi Permanent Magnet Alloy[J]. 金属学报, 2022, 58(1): 103-113.
[5] HU Long, WANG Yifeng, LI Suo, ZHANG Chaohua, DENG Dean. Study on Computational Prediction About Microstructure and Hardness of Q345 Steel Welded Joint Based on SH-CCT Diagram[J]. 金属学报, 2021, 57(8): 1073-1086.
[6] CAO Qingping, LV Linbo, WANG Xiaodong, JIANG Jianzhong. Magnetron Sputtering Metal Glass Film Preparation and the “Specimen Size Effect” of the Mechanical Property[J]. 金属学报, 2021, 57(4): 473-490.
[7] TONG Wenhui, ZHANG Xinyuan, LI Weixuan, LIU Yukun, LI Yan, GUO Xuming. Effect of Laser Process Parameters on the Microstructure and Properties of TiC Reinforced Co-Based Alloy Laser Cladding Layer[J]. 金属学报, 2020, 56(9): 1265-1274.
[8] ZHANG Lin, GUO Xiao, GAO Jianwen, DENG Anyuan, WANG Engang. Effect of Electromagnetic Stirring on Microstructure and Mechanical Properties of TiB2 Particle-Reinforced Steel[J]. 金属学报, 2020, 56(9): 1239-1246.
[9] DENG Congkun,JIANG Hongxiang,ZHAO Jiuzhou,HE Jie,ZHAO Lei. Study on the Solidification of Ag-Ni Monotectic Alloy[J]. 金属学报, 2020, 56(2): 212-220.
[10] LIU Yanmei, WANG Tiegang, GUO Yuyao, KE Peiling, MENG Deqiang, ZHANG Jifu. Design, Preparation and Properties of Ti-B-N Nanocomposite Coatings[J]. 金属学报, 2020, 56(11): 1521-1529.
[11] LIU Haixia, CHEN Jinhao, CHEN Jie, LIU Guanglei. Characteristics of Waterjet Cavitation Erosion of 304 Stainless Steel After Corrosion in NaCl Solution[J]. 金属学报, 2020, 56(10): 1377-1385.
[12] Bo LI,Zhonghua ZHANG,Huasong LIU,Ming LUO,Peng LAN,Haiyan TANG,Jiaquan ZHANG. Characteristics and Evolution of the Spot Segregations and Banded Defects in High Strength Corrosion Resistant Tube Steel[J]. 金属学报, 2019, 55(6): 762-772.
[13] SHAO Yi , LI Yanmo , LIU Chenxi , YAN Zesheng , LIU Yongchang . Annealing Process Optimization of High Frequency Longitudinal Resistance Welded Low-CarbonFerritic Stainless Steel Pipe[J]. 金属学报, 2019, 55(11): 1367-1378.
[14] LI Dongmei, JIANG Beibei, LI Xiaona, WANG Qing, DONG Chuang. Composition Rule of High Hardness and Electrical Conductivity Cu-Ni-Si Alloys[J]. 金属学报, 2019, 55(10): 1291-1301.
[15] Bin ZHAI, Kai ZHOU, Peng Lü, Haipeng WANG. Rapid Solidification of Ti-6Al-4V Alloy Micro-Droplets Under Free Fall Condition[J]. 金属学报, 2018, 54(5): 824-830.
No Suggested Reading articles found!