Preparation and fundamental physical properties of the quaternary chalcogenides SnBi4-xTe3+ySe4-z and PbBi4-xTe3-ySe4-z

1997 ◽  
Vol 101-103 (1-2) ◽  
pp. 125-129
Author(s):  
P Kichambare
Keyword(s):  
Physical Properties ◽  
Fundamental Physical

scholarly journals Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculations

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Sahib Hasan ◽  
Khagendra Baral ◽  
Neng Li ◽  
Wai-Yim Ching
Keyword(s):  
Mechanical Properties ◽  
Physical Properties ◽  
First Principles ◽  
Experimental Studies ◽  
First Principles Calculations ◽  
Chalcogenide Semiconductors ◽  
Optical And Mechanical Properties ◽  
Very Large Database ◽  
Unique Composition ◽  
Fundamental Physical

AbstractChalcogenide semiconductors and glasses have many applications in the civil and military fields, especially in relation to their electronic, optical and mechanical properties for energy conversion and in enviormental materials. However, they are much less systemically studied and their fundamental physical properties for a large class chalcogenide semiconductors are rather scattered and incomplete. Here, we present a detailed study using well defined first-principles calculations on the electronic structure, interatomic bonding, optical, and mechanical properties for 99 bulk chalcogenides including thirteen of these crytals which have never been calculated. Due to their unique composition and structures, these 99 bulk chalcogenides are divided into two main groups. The first group contains 54 quaternary crystals with the structure composition (A2BCQ4) (A = Ag, Cu; B = Zn, Cd, Hg, Mg, Sr, Ba; C = Si, Ge, Sn; Q = S, Se, Te), while the second group contains scattered ternary and quaternary chalcogenide crystals with a more diverse composition (AxByCzQn) (A = Ag, Cu, Ba, Cs, Li, Tl, K, Lu, Sr; B = Zn, Cd, Hg, Al, Ga, In, P, As, La, Lu, Pb, Cu, Ag; C = Si, Ge, Sn, As, Sb, Bi, Zr, Hf, Ga, In; Q = S, Se, Te; $$\hbox {x} = 1$$ x = 1 , 2, 3; $$\hbox {y} = 0$$ y = 0 , 1, 2, 5; $$\hbox {z} = 0$$ z = 0 , 1, 2 and $$\hbox {n} = 3$$ n = 3 , 4, 5, 6, 9). Moreover, the total bond order density (TBOD) is used as a single quantum mechanical metric to characterize the internal cohesion of these crystals enabling us to correlate them with the calculated properties, especially their mechanical properties. This work provides a very large database for bulk chalcogenides crucial for the future theoretical and experimental studies, opening opportunities for study the properties and potential application of a wide variety of chalcogenides.

Comparison of fundamental physical properties of the model cells (protocells) and the living cells reveals the need in protophysiology

2016 ◽  
Vol 16 (1) ◽  
pp. 97-104 ◽  
Author(s):  
V.V. Matveev
Keyword(s):  
Physical Properties ◽  
Origin Of Life ◽  
Sodium Pump ◽  
Molecular Model ◽  
Biological Evolution ◽  
Living Cells ◽  
Real Problem ◽  
The Origin Of Life ◽  
Physical Laws ◽  
Fundamental Physical

AbstractA hypothesis is proposed about potassium ponds being the cradles of life enriches the gamut of ideas about the possible conditions of pre-biological evolution on the primeval Earth, but does not bring us closer to solving the real problem of the origin of life. The gist of the matter lies in the mechanism of making a delimitation between two environments – the intracellular environment and the habitat of protocells. Since the sodium–potassium pump (Na+/K+-ATPase) was discovered, no molecular model has been proposed for a predecessor of the modern sodium pump. This has brought into life the idea of the potassium pond, wherein protocells would not need a sodium pump. However, current notions of the operation of living cells come into conflict with even physical laws when trying to use them to explain the origin and functioning of protocells. Thus, habitual explanations of the physical properties of living cells have become inapplicable to explain the corresponding properties of Sidney Fox's microspheres. Likewise, existing approaches to solving the problem of the origin of life do not see the need for the comparative study of living cells and cell models, assemblies of biological and artificial small molecules and macromolecules under physical conditions conducive to the origin of life. The time has come to conduct comprehensive research into the fundamental physical properties of protocells and create a new discipline – protocell physiology or protophysiology – which should bring us much closer to solving the problem of the origin of life.

scholarly journals Reserch on cross-linking densities and fundamental physical properties of rubber.

1993 ◽  
Vol 66 (2) ◽  
pp. 117-123 ◽  
Author(s):  
Hideo NAKAUCHI ◽  
Sakae INOUE ◽  
Kazuo NAITO
Keyword(s):  
Physical Properties ◽  
Cross Linking ◽  
Fundamental Physical

Advanced Thermoelectric Materials and Systems for Automotive Applications in the Next Millennium

1997 ◽  
Vol 478 ◽  
Author(s):  
Donald T. Morelli
Keyword(s):  
Environmental Economic ◽  
Physical Properties ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
Experimental Results ◽  
Automotive Applications ◽  
New Materials ◽  
Thermoelectric Devices ◽  
Filled Skutterudites ◽  
Fundamental Physical

AbstractA combination of environmental, economic, and technological drivers has led to a reassessment of the potential for using thermoelectric devices in several automotive applications. In order for this technology to achieve its ultimate potential, new materials with enhanced thermoelectric properties are required. Experimental results on the fundamental physical properties of some new thermoelectric materials, including filled skutterudites and 1–1–1 intermetallic semiconductors, are presented.

Dipole moments of trans- and cis-(4-methylcyclohexyl)methanol (4-MCHM): obtaining the right conformer for the right reason

2016 ◽  
Vol 18 (27) ◽  
pp. 17856-17867 ◽  
Author(s):  
Nathan J. DeYonker ◽  
Katherine A. Charbonnet ◽  
William A. Alexander
Keyword(s):  
Physical Properties ◽  
Dipole Moments ◽  
Right Reason ◽  
The Right ◽  
Fundamental Physical

Accurate computational estimates of fundamental physical properties can be used as inputs in the myriad of extant models employed to predict toxicity, transport, and fate of contaminants.

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