Santanu Pathak

12 Questions 6 Answers 0 Followers

Questions related from Santanu Pathak

What is the advantage of gas loading in diamond anvil cell (DAC) compared to liquid?

Gas loading (as pressure medium) in DAC requies cryogenic facility. What is the advantage of the gas loading compared to liquid?

30 November 2018 8,770 2 View

What should be the order of total energy per unit cell of a crystal?

What is the order of total energy of a unit cell (NOT SUPERCELL) of any crystal? I am finding it in ~100 eV order in some papers and ~100 KeV order in others. Maximum reports with WIEN2k...

11 August 2018 3,731 6 View

How to do Rietveld refinement if the smaple is doped?

For a pure material, we put the crystal unit cell dimension, atomic coordinates for Rietveld refinement. What should be input for a doped sample? Hope question is understood, otherwise kindly ask...

09 August 2018 5,114 10 View

What is the implication of electirc field gradient (EFG)?

What may be concluded from a value of Vzz and asymmetry parameter n from a perturbed angular correlation (PAC) measument??

06 August 2018 531 0 View

What is the range of electric field gradient (EFG)?

How much distance from probe nucleus an EFG value can conclude about in a perturbed angular correlation (PAC) study?

06 August 2018 4,126 1 View

Is this possible that bulk modulus increases with pressure?

For any oxide material, is it possible that bulk modulus decreases,i.e., compressibility increases with increasing pressure? Is there any instance for that?

27 June 2018 7,365 3 View

For an WIEN2k calculation, is this COMPULSORY to do the calculation for various RKmax values to confirm its value?

RKmax is a very importat parameter for any WIEN2k calculation. Is this compulsory to do the same calculation for various RKmax values to confirm its suitable value fro the material? Or a good...

04 June 2018 2,909 2 View

What is the reason that much of the XRD peaks of a single phase match with theoretical pettern, but one peak does not match in intensity?

In ADXRD all the peaks are matching with theoretical pattern in peak positions. But one peak has intensity lower than the theoretical value. Others are matching as well. What may the reason behind...

28 February 2018 1,701 3 View

How is coordination no of any atom calculated for lower symmetry crystal structures?

For an oxide in orthorhombic structure, I can see 10 oxygen atoms are surrounding a metal atom, but the very atom is reported to be 7-coordinated. I can't understand how should I determine...

17 January 2018 2,827 4 View

Energetically which phase should a material evolve under pressure?

Will a material evolve to a higher energetic phase (space group) under pressure? Or it will continue in the same crystal structure or transform to lower energetic phase? As applying pressure means...

22 December 2017 8,611 4 View

Why is high energy synchrotron source needed for high pressure experiment using DAC?

Why high energy synchrotron source is needed for high pressure experiment using diamond anvil cell (DAC)? High intensity is understood, but what is the role/ roles of "high energy" in these...

17 December 2017 5,292 3 View

Why Chi2 is coming lesser than 1 in rietveld refinement using GSAS?

I am refining XRD data of an oxide material with Rietveld method using GSAS. Chi2 value is coming 0.86. Is there anything wrong in chi2 lesser than 1 (but nearer to 1)? Why is this coming and how...

19 September 2017 3,740 5 View