scholarly journals Computational approaches to point defect simulations for semiconductor solid solution alloys

2021 ◽  
Vol 154 (9) ◽  
pp. 094705
Author(s):  
Kelsey J. Mirrielees ◽  
Jonathon N. Baker ◽  
Preston C. Bowes ◽  
Douglas L. Irving
2020 ◽  
Vol 6 (9) ◽  
pp. 10-17
Author(s):  
A. Razzakov ◽  
A. Matnazarov ◽  
M. Latipova ◽  
A. Japakov

Abstract. Single-crystal films of a graded-gap solid solution Si1-xGex (0 <x <1) was grown on Si substrates from limited tin, gallium solution-melt. Accordingly, liquid phase epitaxy method was applied in the process. The formation of dislocations, grown under various technological conditions, at the substrate-film interface along the growth direction of the Si1-xGex solid solution was studied. Optimal technological growth modes for obtaining crystalline perfect epitaxial layers and structures are given.


Small ◽  
2017 ◽  
Vol 13 (45) ◽  
pp. 1701998 ◽  
Author(s):  
Baodan Liu ◽  
Jing Li ◽  
Wenjin Yang ◽  
Xinglai Zhang ◽  
Xin Jiang ◽  
...  

2002 ◽  
Vol 753 ◽  
Author(s):  
L. M. Pike ◽  
Y. A. Chang ◽  
C. T. Liu ◽  
I. M. Anderson

ABSTRACTThis paper provides a review of recent progress on point defect and solute hardening in binary and ternary B2 intermetallics. As is the case for disordered metallic solutions, the presence of point defects and solute atoms in ordered intermetallic compounds results in solid solution hardening (SSH). However, factors unique to ordered systems are often responsible for unusual hardening effects. Binary compounds with identical crystal structures can exhibit significantly different hardness behavior. Ternary solute additions to ordered compounds can give rise to apparent solid solution softening as well as unexpectedly rapid hardening. These effects arise from the interaction of multiple defect types as well as the presence of multiple sublattice sites available for solute occupation. Therefore, before the SSH behavior of ordered intermetallics can be properly studied, it is necessary to develop an understanding of the types and quantities of the point defects which are present. Three recent studies by the authors are reviewed. Much of the work was done on NiAl and FeAl in binary form as well as with ternary additions. Defect concentrations over wide ranges in alloy composition and quenching temperature were determined using the ALCHEMI (atom location by channeling enhanced microanalysis) technique combined with vacancy measurements. Hardness values were also measured. It was found that most of the observed SSH effects could be rationalized on the basis of the measured point defect concentrations.


2015 ◽  
Vol 16 (1) ◽  
pp. 111-115
Author(s):  
V. А. Romaka ◽  
P. Rogl ◽  
Yu. V. Stadnyk ◽  
L. P. Romaka ◽  
R. O. Korzh ◽  
...  

The peculiarities of the temperature and concentration characteristics of resistivity and thermopower of V1-xTixFeSb semiconductor solid solution were investigated in the temperature and concentration ranges of T = 4.2 -400 K and Ті  ≈ 9.5·1019–3.6·1021 см-3 (х = 0.005 - 0.20), respectively. The existence of previously unknown mechanism for the generation of structural defects with donor nature which determined the conduction of n-VFeSb and V1-xTixFeSb was established. The acceptor type of structural defects generated in V1-xTixFeSb by substitution of V atoms by Ti ones was confirmed.


Author(s):  
Muhammad Musaddique Ali Rafique

Bubble (point defect) &ndash; a precursor of fuzz or under dense nanostructure formation is crystal lattice defect. Suitable selection of crystal lattice which inhibit Frenkel pair generation and intrinsically promotes selfinterstitial solid solution strengthening contributes effectively towards making plasma facing material. For this, interstitial sites, their size, amount / fraction, positions, tendency of occupation and diffusion parameters (e.g. activation energies (Q), activation volumes) are determined. Fcc iron carbon alloys (austenitic stainless steels AISI / SAE 321, fcc structure, Pearson code cF4, space group Fm3̅m) are proposed as suitable candidates. Along with their room temperature fcc structure having 12 interstitial positions (4 octahedral, 6 coordination sites and 8 tetrahedral, 4 coordination sites / unit cell) to allow insertion of self (iron) atoms, they have excellent corrosion resistance, thermal conductivity, and nonmagnetic properties. After their melting, casting, and machining to required dimensions and geometry, stabilizing heat treatment is applied to precipitate all carbon as TiC and prevent formation of Cr23C6 (sensitization). This resist heat and surface degradation and yield excellent architecture which not only inhibit Frankel pair generation but will also allow bulk assimilation or surface annihilation (loop punching) of this lattice point defect. A superior thermal, fluid, and structural design augment above


2016 ◽  
Vol 42 (7) ◽  
pp. 715-717 ◽  
Author(s):  
M. A. Aliev ◽  
S. N. Kallaev ◽  
T. M. Gadzhiev ◽  
R. M. Gadzhieva ◽  
A. M. Ismailov ◽  
...  

Author(s):  
E. Belonogov ◽  
A. Grebennikov ◽  
V. Dybov ◽  
S. Kannykin ◽  
A. Kostyuchenko ◽  
...  

AbstractThe phase composition, structure, morphology, and thermal conductivity of Bi2Te3−xSex-based semiconductor solid solution after photon treatment (PT) were studied by X-ray diffractometry, SEM, TEM, and the laser flash techniques. It was revealed that PT leads to recrystallization of the subsurface layers of the solid solution with the formation of a heterogeneous nanocrystalline structure. The thermoelectric figure of merit of the semiconductor Bi2Te3−xSex (n-type) solid solution increases after PT due to modification of the surface layers. This is due to the decrease of the thermal conductivity of the studied material after PT.


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