R. Rajesh

13 Questions 35 Answers 0 Followers

Questions related from R. Rajesh

Unable to reduce chi square in Neutron diffraction data?

Dear Researchers, I am trying to refine the BiFeO3 neutron diffraction data using GSAS-II, how i am unable to reduced the chi square. In XRD it crystallizes in R3c phase with reduced chi square of...

19 October 2023 6,531 4 View

How to overcome the error occurred in RMC profile and pddffit2 in GSAS II?

Dear Professor, Currently, I am using GSAS II for Rietveld refinement analysis in Windows 8.1 OS. While I am working in ISODISTORT distortion modes, after the creation of file_child, the GM values...

26 July 2022 3,976 2 View

How to find the AFM/Para and Ferroelectric data's from M-H curve?

Respected researchers, I am attaching herewith an M_H curve. Here the sample may possess both FM and AFM/PM behaviours. In order to identify the contribution of both magnetic behaviours, I used...

21 September 2021 8,509 3 View

How to stimulate frequency dependent polarization curves?

we measure the polarization response against the electric field at lower frequencies for BiFeO3 samples (10,20,50, 100 Hz). we get a linear response. we would like to stimulate the...

02 July 2020 8,615 0 View

How to converge the band structure of BiFeO3 using quantum espresso?

Dear researchers, as I am new to DFT theory, I try to find the density of states and band structure using quantum espresso with Burai. However, I am unable to converge the band structure of...

02 July 2020 2,222 14 View

How to calculate electron density and nuclear density values using VESTA?

Can any one help me to calculate the electron density values using Dysnomia of pervoskite metal oxide (Eg: BiFeO3) if iam having output files such as *.cif, *.exp, etc.., Thanks in advance

25 March 2020 9,464 3 View

What is the difference between μB / f.u. and μB /Fe3+ ions ?

respected researchers, How to convert the Bohr magneton per formula unit in to Bohr magnetron per Fe3+ ion. for example if you take BiFeO3, From theortical calculation, if we take spin only...

02 July 2018 1,666 7 View

How to prove the net magetization is intrinsic ?

Respected researchers, how to prove the net magnetization is intrinsic from temperature dependent magnetization (2K - 380K) studies of divalent (Sr)doped bismuth ferrite when a field of 1000Oe is...

19 April 2017 1,835 3 View

Where can I find the CIF file of BiFeO3 in R-3m Phase?

Respected researcher, while examine the BiFeO3 X-ray pattern in Xpert Pro plus, my pattern well counterparts with R-3m phase (space group 166). for reitveld refinement, i am in need of CIF File in...

12 July 2016 6,632 11 View

Can someone help me to calculate Z/Zmax and M/M max?

Respected researchers, I am doing impedance studies in bulk samples. now I arrive impedance, admittance, electric modulus and relative permittivity from the datas measured. from Jonscher’s law ,...

25 November 2015 6,940 2 View

How can I calculate the bond length from FTIR results for bulk complex oxides?

For example, if we take the FTIR result of BiFeO3 powder sample, I get peaks at 449.80cm-1 & 593.14cm-1 which conforms the presence of O - Fe - O bending mode and Fe - O stretching mode ( Ref:...

09 October 2014 5,259 10 View

Can anyone help me to calculate the bond length and force constant values using FTIR for solid BiFeO3 Bulk samples?

From the data of wavenumber vs absorbance from FTIR, i find that there are some peaks. from that, the wavelength and angular frequency of the BiFeO3 are calculated , also mass of the Bi, Fe and O...

14 September 2014 7,831 1 View

Can anyone assist with Reitveld output issues?

I am using GSAS II and GSAS I for reitveld refinement. How can I print the hkl values in ouput curves (pdf format) after refinement in GSAS II since the output curve doesn't contain information...

11 September 2014 8,125 5 View