Doping and Alloying Calculations
How to determine all the different configurations when doing alloying or doping
When we want to do alloying by substituting atoms by other atoms we find that there will be many configurations of substitutions which lead to …
Read more![[Wien] After supercell, add impurity... x sgroup change space group](https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEj8-qfw7aRirGR3vlhoF-SOY4k3iPyRw0ZvdxUIvt6CL89RmBbdRLvTGkDbipdGYC4BlfCzCmgVp4UE_P6kjUSC25V68YwhdV6CJKVNsjw6i1dHO5zEGonJrIXaqn0qKrZQhvaRzylf2XE7/w640/spacegroup.png)
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[Wien] After supercell, add impurity... x sgroup change space group
[Wien] After supercell, add impurity... x sgroup change space group Serhat Ayık Sun, 24 Jan 2021 12:32:20 -0800 Dear Wien2k users, In my …
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Doping and Alloying Calculations
How to calculate the ionicity factor ?
To learn how to determine the ionicity factor qualitatively check the following article of Zaoui https://materials-sciences-algerien1970.blogspot.c…
Read more![[Wien] Be doping in hBN](https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEj2YUj8r7T7egkU6OetN-REKL95nwJJDZxBE1I0wgH74wuVp6ORpHK-LE1wlCWob6Jec9OtZBBSAVPobX3Eina1UmKFvhQ041KN5q5UWNMkar9I0T7ZeX-IR8JNfMJFH8_2ObeiSrWFHYnc/w640/1565166998_Hexagonal_Boron_Nitride_Nanopowder_2.1.jpg)
Problems and Solutions
[Wien] Be doping in hBN
Neeraj Kulhari Sun, 26 Jul 2020 22:54:11 -0700 Namaskar Sir, Parameters: a=2.50 b=2.50 and c=15 space group :194 without Spin Orbit coupling I …
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Tutorials
K-doping of NaCl structure
We will study the doping (or alloying) of the NaCl compound with 25, 50 and 75 percentages. The crystal structure of undoped NaCl compound is as f…
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Tutorials
How to build the structure file of an alloy
Many compounds are in reallity alloys; so to bulid their structure file we need to bring the crystal structure of the parent compound and deri…
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Tutorials
How to study Alloying and Doping
A- Definitions: First of all we attempt to clarify approximately the difference between alloying and doping despite the fact that the differe…
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My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences.
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