THE SIGNIFICANCE OF VALENCE ELECTRON CONCENTRATION ON THE FORMATION MECHANISM OF SOME TERNARY ALUMINUM-BASED QUASICRYSTALS

2002 ◽  
Vol 16 (31) ◽  
pp. 4665-4683 ◽  
Author(s):  
N. S. ATHANASIOU ◽  
C. POLITIS ◽  
J. C. SPIRLET ◽  
S. BASKOUTAS ◽  
V. KAPAKLIS

In the present study we report on the formation mechanism of some binary Al-TM and ternary Al-Cu-TM (TM = transition metal) quasicrystals. We have found that the formation mechanism of quasicrystalline phases in the binary Al-TM system takes place at extremely high solidification rates, is linked to the location of the transition metal in the periodic table, depends upon the atomic radius ratio of the constituents, is composition sensitive, and as a result is strongly affected by the effective atomic radius ratio (a eff ). Applying empirical criteria on the formation of ternary Al-Cu-TM quasicrystals we were able to calculate the composition range at which the formation tendency and stability of quasicrystalline phases is enhanced. The method presented can be viewed as an empirical criterion to find new and high quality quasicrystalline materials and to optimize the quasicrystalline material composition. Furthermore, it was observed that the stabilization mechanism of the quasicrystalline Al-Cu-(Fe, Co, Ru, Rh, Os, Ir) phases takes place when the atomic ratio (TM+Cu)/Al ranges from 0.46 to 0.69 and for a eff values between 4.10 and 7.30. At the same valence electron concentration, metastable icosahedral Al-Cu-(Cr, Mn) phases are formed at relatively smaller atomic ratios (TM+Cu)/Al and having higher a eff values in comparison to those of the stable D- and I-phases.

1991 ◽  
Vol 234 ◽  
Author(s):  
P. Pecheur ◽  
G. Toussaint

ABSTRACTThe electronic structure of Ru2Si3 has been calculated with the empirical tight binding method and the recursion procedure. The calculation strongly indicates that there exists a gap in the structure, which makes Ru2Si3 semiconducting, as found experimentally and explains the stability of the chimney-ladder phases for a valence electron concentration per transition metal atom smaller than 14.


Author(s):  
Biplab Koley ◽  
Srinivasa Thimmaiah ◽  
Sven Lidin ◽  
Partha P. Jana

γ1-AuZn2.1 in the Au–Zn binary system has been synthesized and its structure analyzed by single-crystal X-ray diffraction. It crystallizes in the trigonal space group P31m (No. 157) with ∼227 atoms per unit cell and represents a \surd3a × \surd3a × c superstructure of rhombohedrally distorted γ-Au5–x Zn8+y . The structure is largely tetrahedrally closed packed. The formation of γ1-AuZn2.1 can be understood within the framework of a Hume-Rothery stabilization mechanism with a valence electron concentration of 1.68 e/a (valence electrons per atom).


RSC Advances ◽  
2020 ◽  
Vol 10 (43) ◽  
pp. 25836-25847
Author(s):  
Yinqiao Liu ◽  
Zhou Jiang ◽  
Xue Jiang ◽  
Jijun Zhao

Since MAB (where M is a transition metal, A is a group 13–16 element, and B is boron) phases possess several useful properties, it is meaningful to develop a database to help us figure out optimal compositions and further promote their applications.


2021 ◽  
Vol 5 (4) ◽  
Author(s):  
Ziyuan Rao ◽  
Aslı Çakır ◽  
Özge Özgün ◽  
Dirk Ponge ◽  
Dierk Raabe ◽  
...  

2015 ◽  
Vol 11 (3) ◽  
pp. 3224-3228
Author(s):  
Tarek El-Ashram

In this paper we derived a new condition of formation and stability of all crystalline systems and we checked its validity andit is found to be in a good agreement with experimental data. This condition is derived directly from the quantum conditionson the free electron Fermi gas inside the crystal. The new condition relates both the volume of Fermi sphere VF andvolume of Brillouin zone VB by the valence electron concentration VEC as ;𝑽𝑭𝑽𝑩= 𝒏𝑽𝑬𝑪𝟐for all crystalline systems (wheren is the number of atoms per lattice point).


2018 ◽  
Vol 30 (4) ◽  
pp. 1324-1334 ◽  
Author(s):  
Qingyong Ren ◽  
Wayne D. Hutchison ◽  
Jianli Wang ◽  
Andrew J. Studer ◽  
Stewart J. Campbell

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