scholarly journals Cooper-pair distribution function $$D_{cp}(\omega ,T_c)$$ for superconducting $$\hbox {D}_3\hbox {S}$$ and $$\hbox {H}_3\hbox {S}$$

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
G. I. González-Pedreros ◽  
J. A. Camargo-Martínez ◽  
F. Mesa

AbstractCooper-pair distribution function, $$D_{cp}(\omega ,T_c)$$ D cp ( ω , T c ) , is a recent theoretical proposal that reveals information about the superconductor state through the determination of the spectral regions where Cooper pairs are formed. This is built from the well-established Eliashberg spectral function and phonon density of states, calculated by first-principles. From this function is possible to obtain the $$N_{cp}$$ N cp parameter, which is proportional to the total number of Cooper pairs formed at a critical temperature $$T_c$$ T c . Herein, we reported $$D_{cp}(\omega ,T_c)$$ D cp ( ω , T c ) function of the compressed $$D_3S$$ D 3 S and $$H_3S$$ H 3 S high-$$T_c$$ T c conventional superconductors, including the effect of stable sulfur isotopes in $$H_3S$$ H 3 S . $$D_{cp}(\omega ,T_c)$$ D cp ( ω , T c ) suggests that the vibration energy range of 10–70 meV is where the Cooper pairs are possible for these superconductors, pointing out the possible importance of the low-energy region on the electron–phonon superconductivity. This has been confirmed by the fact that a simple variation in the low-frequency region induced for the substitution of S atoms in $$H_3S$$ H 3 S by its stable isotopes can lead to important changes in $$T_c$$ T c . The results also show proportionality between $$N_{cp}$$ N cp parameter and experimental or theoretical $$T_c$$ T c values.

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
G. I. González-Pedreros ◽  
J. A. Camargo-Martínez ◽  
F. Mesa

AbstractIn this paper, we report Cooper Pairs Distribution function $${D}_{cp}(\omega ,{T}_{c})$$ D cp ( ω , T c ) for bcc Niobium under pressure. This function reveals information about the superconductor state through the determination of the spectral regions for Cooper-pairs formation. $${D}_{cp}(\omega ,{T}_{c})$$ D cp ( ω , T c ) is built from the well-established Eliashberg spectral function and phonon density of states, calculated by first-principles. $${D}_{cp}(\omega ,{T}_{c})$$ D cp ( ω , T c ) for Nb suggests that the low-frequency vibration region $$\left(\omega <6 \,{\text{meV}}\right)$$ ω < 6 meV is where Cooper-pairs are possible. From $${D}_{cp}(\omega ,{T}_{c})$$ D cp ( ω , T c ) , it is possible to obtain the $${N}_{cp}$$ N cp parameter, which is proportional to the total number of Cooper-Pairs formed at a temperature $${T}_{c}$$ T c . The $${N}_{cp}$$ N cp parameter allows an approach to the understanding of the Nb $${T}_{c}$$ T c anomalies, measured around 5 and 50 GPa.


RSC Advances ◽  
2015 ◽  
Vol 5 (12) ◽  
pp. 8895-8902 ◽  
Author(s):  
E.-E. Bendeif ◽  
A. Gansmuller ◽  
K.-Y. Hsieh ◽  
S. Pillet ◽  
Th. Woike ◽  
...  

Total X-ray scattering coupled to atomic pair distribution function analysis (PDF) and solid state NMR allowed the identification and structural characterisation of isolated molecules and nanocrystals of sodium nitroprusside confined in mesoporous silica.


2015 ◽  
Vol 71 (a1) ◽  
pp. s383-s384
Author(s):  
Dominik Schaniel ◽  
El-Eulmi Bendeif ◽  
Axel Gansmuller ◽  
Kuan-Ying Hsieh ◽  
Sebastien Pillet ◽  
...  

2008 ◽  
Vol 41 (2) ◽  
pp. 386-392 ◽  
Author(s):  
Victor Krayzman ◽  
Igor Levin

Short-rangeB-cation order affects the functional properties of many complex perovskites. However, current ability to measure the characteristics of such chemical short-range order (SRO) in perovskite-structured ceramics is limited. In the present study, two distinct methods are compared for the determination of theB-cation SRO parameters from the total scattering pair-distribution function (PDF). Both methods rely on reverse Monte Carlo refinements of the structural models but differ in the procedures used to extract the SRO characteristics. The accuracy of these methods was tested using synthetic PDF data generated for models of prototype Ca(Zr,Ti)O3solid solutions. One of the approaches developed in the present study, which proved to yield the most accurate results, was used to analyze the SRO of Ti and Zr in powder samples of Ca(Zr,Ti)O3.


2006 ◽  
Vol 18 (1) ◽  
pp. 100-106 ◽  
Author(s):  
Gianluca Paglia ◽  
Emil S. Božin ◽  
Damjan Vengust ◽  
Dragan Mihailovic ◽  
Simon J. L. Billinge

2020 ◽  
Author(s):  
Georgios S.E. Antipas ◽  
Konstantinos Karalis

The inference of amorphous bulk density, while straightforward for nonporous, soluble materials, may present a formidable challenge in some of the most important classes of industrial applications, involving melts, porous solids, and non-soluble organic pharmaceuticals, with varied implications depending on the material’s level of technological interest. Within nanotechnology and the life sciences in particular, accurate determination of amorphous true density is a frequent requirement and a regular puzzle, when, e.g., neither the Archimedean principle nor gas pycnometry may be applied, the former being only applicable to insoluble compounds, while the latter yielding skeletal density – an overestimate of true density to the extent of blind pores – and its efficiency is affected by the choice of the gas medium. In these cases, it is feasible to infer amorphous density from diffraction experiments through the use of the reduced Pair Distribution Function (PDF). Although an estimate of crystalline density has been known to be possible via the PDF shape, here we outline a new method extending this facility to include the estimation of amorphous density.


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