Calculation of Magnetic Properties and Analysis of Valence Electronic Structures of LaT13-xAlx (T = Fe, Co) Compounds

Guo, Yanqun; Yu, Rongmin; Zhang, Ruilin; Zhang, Xinhui; Tao, Kun

doi:10.1021/jp9714781

Cited by 63 publications

(33 citation statements)

References 26 publications

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“…At the temperature of 2400 or so its lattice ℃ constant is a = 0.52720 nm [12] . According to the above parameter the bond names and experiment bond lengths of all the bonds in cubic zirconia which can not be neglected can be given as the following: The number of equivalent bonds of the bonds can be calculated with the formula [5][6][7][8] M S K , I I I I α =…”

Section: Ves Of Cubic Zirconiamentioning

confidence: 99%

“…With the empirical electron theory in solids and molecules (EET) [5][6][7][8] , Liu Zhilin and his colleagues calculated the VES of many phase structures in ferrous alloys such as austenite, martensite, cementite and special carbide containing various alloying elements. On that basis they established the C-Me segregating theory in solid alloys [9,10] and explained many phenomena in alloys related to phase transformation such as austenite stabilization, phase transformation toughening, the influences of alloying elements on the TTT curve of phase transformation dynamics, and the influences of alloying elements on the morphology of phase transformation products.…”

Section: Introductionmentioning

confidence: 99%

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Application of the C-Me segregating theory in solid alloys to ceramics

Qin

et al. 2007

SCI CHINA SER E

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Because of its excellent properties, zirconia ceramics has already been widely applied. Its phase transformation affects its properties. The research on the mechanism of its phase transformation is very important to control the phase transformation as well as its properties. The valence electron structure of cubic zirconia, tetragonal zirconia and monoclinic zirconia are calculated with the empirical electron theory in solids and molecules in this paper. The results show that the total numbers of the covalent electron pairs which form their strong bond framework are 3.19184, 3.45528 and 3.79625, respectively. According to the viewpoint of the C-Me segregating theory in solid alloys, it can be deduced that the phase transformation order of zirconia should be liquid phase→cubic phase→ tetragonal phase→monoclinic phase. The deduction from valence electron structure is completely in accordance with the experimental results, so the electron theory of phase transformation in alloys can be expanded to ceramics materials. solid alloys, ceramics, valence electron structure, phase transformation

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Section: Ves Of Cubic Zirconiamentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Application of the C-Me segregating theory in solid alloys to ceramics

Qin

et al. 2007

SCI CHINA SER E

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“…Researchers have been studying the practical application of the EET for over 30 years. The research results about EET can be found in detail in [22][23][24][25][26][27][28]. The VES of inter-metallic compound and cast iron were analyzed [29][30][31], the calculation of the lattice constant of solids and the yield strength in some steels [32][33][34] were given, and the theoretical basis for the chemical composition design of titanium alloys was provided [35] using the VES parameters.…”

Section: Introductionmentioning

confidence: 99%

Study on chip failure mechanism in high-speed cutting process with electronic theory

Zhang

Guo

et al. 2015

Int J Adv Manuf Technol

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In this paper, the microscopic mechanism of 080A15 and 30CrMnMo steel chip failure modes has been studied at the level of valence electron structure (VES) based on the empirical electron theory (EET) of solids and molecules. Studies show the bonding ability and the lattice electron density are related to the chip failure form. If the bonding ability is weak and the lattice electron density is high, the chip is more prone to ductile fracture. Conversely, the chip is more prone to adiabatic shear failure to form the serrated chip divided uniformly by adiabatic shear bands (ASBs). For 080A15 steel, the bonding force between atoms is weak, and the lattice electron density is very high. It is difficult to produce the thermal-mechanical instability. Thus, the chip was formed by ductile fracture. For 30CrMnMo steel, the total bonding ability of each structural unit of carbon and alloy elements is stronger, and the lattice electron density of each structural unit is weaker, the temperature can rise instantaneously to a very high level to form the serrated chip with the adiabatic shear failure. The results of this research provide useful insights on material design and selection in high-speed cutting by studying the specific alloy elements on the influence of chip failure mechanism at the VES level.

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“…Normally the results could only explain some experimental phenomena, and are opposite to some experiment facts [9] . In this paper, the relative electron density differences between the different crystal planes of silicon substrate and those of the films are calculated with the empirical electron theory in solids and molecules (EET) [9][10][11][12] . The influence of the electron density on the orientation of the texture of the films is also discussed in order to predict the orientation of the texture and heteroepitaxy of the films.…”

Section: Introductionmentioning

confidence: 99%

Relationship between the orientation of texture and heteroepitaxy of diamond and related materials films on silicon single crystal and the valence electron structure of the interface

Qin

2007

SCI CHINA SER E

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Diamond and cubic boron nitride films have already been applied practically because of their excellent properties. The specific orientations of the films have special meaning on their application in optics and microelectronics fields. In this paper, the relative electron density differences of the interface between the different crystal planes of silicon substrate and those of diamond and cubic boron films are calculated with the empirical electron theory in solids and molecules. Analyses on the calculation results show that in the range of the researched films, the smaller the relative electron density difference between the film and the substrate is, the stabler the film is in thermodynamics. Therefore, the electron density difference is the essential factor of determining the orientation of the texture and heteroepitaxy of the films. The deductions accord well with the experimental facts. The calculation methods and the theory not only provide a new angle of view for the research of the growth mechanism of diamond film and cubic boron nitride film on the silicon substrate, but also provide a possible direction for the prediction of the orientation of other films. films, interface electron density, texture, heteroepitaxy, diamond, cubic boron nitride

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Calculation of Magnetic Properties and Analysis of Valence Electronic Structures of LaT₁₃_-_xAl_x (T = Fe, Co) Compounds

Cited by 63 publications

References 26 publications

Application of the C-Me segregating theory in solid alloys to ceramics

Application of the C-Me segregating theory in solid alloys to ceramics

Study on chip failure mechanism in high-speed cutting process with electronic theory

Relationship between the orientation of texture and heteroepitaxy of diamond and related materials films on silicon single crystal and the valence electron structure of the interface

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