Is it possible that with the decrease of the crystal size, the lattice distance of the nanocrystal increases or expand to some extent? It's better to provide the reference. Thanks a lot.
In my recent work, BT-based dielectric ceramic were characterized by ex situ XRD. The XRD pattern recorded at low temperature is beyond by expection. Till now, I can not match it with any JCPDS...
05 June 2015 7,128 7 View
What the difference between the two? One is to explain chemistry of photocatalysis in a schematic diagram, and the other is to explain electron transfer.
05 June 2015 1,373 0 View
And how about their relationship? Does higher diffraction intensity represent bigger crystal size?
07 August 2014 2,692 7 View
During low-temperature testing, new diffraction peaks that appear could be indicative of several phenomena. In one of our tests, we observed notable new peaks around 40° and 45° in a specific...
06 August 2024 726 3 View
What information we can get from PXRD analysis other than from SCXRD analysis of a crystal ?
30 July 2024 6,261 4 View
How to apply magnetic field parallel to b axis of any crystal
29 July 2024 4,083 2 View
Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...
27 July 2024 5,748 0 View
I want to study the thermal properties of a mixed system which is constructed by virtual crystal approximation in VASP. When I try to run the ab initio Molecular Dynamics of this system in VASP, I...
19 July 2024 6,569 3 View
Let's say I rotate a hexagonal crystal using Euler angles (φ1, φ2, φ3); and rotate another similar crystal using Euler angles (ψ1, ψ2, ψ3). What would be the angular difference between the final...
17 July 2024 5,582 1 View
I want to make this type of structure. Can anybody recommend the application for this?
15 July 2024 5,864 2 View
Dear All, I am trying to define the dispersion curves of a periodic unit cell in COMSOL Multiphysics with prescribed displacements. I am using two separate studies: - Study 1: Stationary, with...
13 July 2024 7,855 1 View
How long would it take for a 'normal' granitic batholith to crystallize? Are there any calculations on it?
12 July 2024 7,436 0 View
Hi! I'm simulating a specific material on Quantum Espresso, and I found something strange. Initially I've performed simulations on FCC InAs crystal and I used the Hubbard correction to reproduce...
02 July 2024 9,323 1 View