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Questions related from Nilabja Kanti Sarkar
I'm new to VASP and I'm trying to calculate the band structure of a bulk, nonmagnetic superconductor with a tetragonal crystal structure. I'm including spin-orbit coupling (SOC) in my...
10 July 2024 5,784 3 View
am trying to make POSCAR file and xyz file using vasp for NbReSi compound using VESTA. However, I notice that the number of atoms for xyz file is given as 41 whereas for POSCAR is it 36. Can...
18 April 2024 802 2 View
I found that the structure for TiFeSi is given differently in ICSD and Pearson crystal database as follows: The Wykoff positions are given in the Pearson database (data set no 1822291) Ti1 Ti 4...
20 February 2024 822 2 View
Let me explain. I found that the structure for TiFeSi given in the ICSD database using Jsmol software is a little different from what can be obtained using Vesta software using the same cif file...
20 February 2024 9,816 1 View
At the lab scale, alloys or intermetallic compounds are synthesized in the arc melting furnace or by induction melting. The quantity produced is about 5 to 10 grams at minimum. What should be the...
10 May 2023 4,998 1 View
How to compare the applicability of point contact Andreev reflection spectroscopy (PCAR) and angle-resolved angle-resolved photoemission spectroscopy to characterize the superconducting...
24 April 2023 2,759 1 View
crystallite size is usually determined by X- ray diffraction. Can it be cross verified by transmission ebsd (t-ebsd)?
12 April 2023 9,004 1 View
Microstructural analysis using MAUD is easy and quick. However, I have some doubts as no instruction manual is available online for microstructural analysis. 1. But how to be sure about the...
08 April 2023 6,259 4 View
I am getting asymmetric xrd peaks using synchrotron radiation while doing a scan for the LaB6 standard. What are the possible reasons for it? How can I mitigate this issue?
16 February 2023 9,262 3 View
How do we subtract instrumental broadening from the experimental data to get the sample broadening? The prescription for that involves integral breadth and not FWHM which are not precisely the...
13 November 2022 9,164 0 View
For instrumental broadening correction, we use caglioti formula which relates FWHM and diffraction angle (2theta). How can the same instrumental broadening correction be introduced when I am...
16 October 2022 2,770 4 View
For Panalytical X-Pert Pro XRD machine, there are 3 parameters are in play, step time, scan rate, and scan speed. Can anyone help me to get the relationship between these three? Like how can I...
15 October 2022 718 1 View
