Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-10 Thread Abderrahmane Reggad
Thanks again Mr Juan Manuel for the rich information Would you tell me to what extent this information is just: *The character of the unit cell distortion is determined by the orientation of the easy magnetization direction (EMD) of the compounds for binary RCo2 [6]. A close correlation between

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-10 Thread Abderrahmane Reggad
Thanks again Pr Staphan for the procedure and the article. Unfortunately I have no idea about the Spin Density Wave and I have to learn more about it. Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie _

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-10 Thread Juan Manuel Perez Mato
In order to know the symmetry of a structure you do not have to look at the unit cell, but to the symmetry group of the structure. You can have a triclinic structure with a cubic unit cell. Just look at the symmetry group that is indicated in the database, and you will see that its point-group i

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-10 Thread Stefaan Cottenier
Now , I understand the origins of the tetragonal and the orthorombic distortions for the cubic structure of Chromium Cr. I know how to add the spin-orbit coupling in the wien2k code to get the tertragonal structure , but I don't know how to take the spin-density wave in account . Would you exp

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-10 Thread Abderrahmane Reggad
Thanks again Pr Stephan for the rich information Now , I understand the origins of the tetragonal and the orthorombic distortions for the cubic structure of Chromium Cr. I know how to add the spin-orbit coupling in the wien2k code to get the tertragonal structure , but I don't know how to take t

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-10 Thread Stefaan Cottenier
According to what your are saying , the real magnetic structures for Chromide is tetragonal and orthorhombic and not cubic as it's mentionned in the userguide. I think the cubic magnetic structure fo Cr is given just to simply the calculation for the beginners of the antiferromagnetic calculati

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-10 Thread Abderrahmane Reggad
Thank you Pr Stefaan Cottenier for your contribution According to what your are saying , the real magnetic structures for Chromide is tetragonal and orthorhombic and not cubic as it's mentionned in the userguide. I think the cubic magnetic structure fo Cr is given just to simply the calculation f

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-10 Thread Abderrahmane Reggad
Thanks Mr Khan Manuel for your contribution to enrich the subject of geometrical frustration and magnetism . After reading your contribution, I made the following remarks: * you have said:In the case of NiO the magnetic order reduces the symmetry to monoclinic, but what we know all is that the ma

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-10 Thread Stefaan Cottenier
In general, any magnetic ordering breaks the symmetry of the system, and structural distortions compatible with the new symmetry can happen due to magneto-structural coupling. Often this coupling is too weak to be detected, but in other cases like NiO is strong enough. And this is indeed what ha

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-10 Thread Abderrahmane Reggad
Thanks again and I have read that the lifting of the Geometrical Frustration lead to Ferrimagnetism. Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.a

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-10 Thread Juan Manuel Perez Mato
o: jueves, 9 de junio de 2016 05:26:15 p. m. > Para: wien@zeus.theochem.tuwien.ac.at <mailto:wien@zeus.theochem.tuwien.ac.at> > Asunto: Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic > > Thanks Dr Delamora for your reply > > Now I inderstand th

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-09 Thread delamora
. Para: wien@zeus.theochem.tuwien.ac.at Asunto: Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic Thanks again Dr Delamora for your explanation Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-09 Thread Abderrahmane Reggad
Thanks again Dr Delamora for your explanation Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wi

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-09 Thread delamora
: wien@zeus.theochem.tuwien.ac.at Asunto: Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic Thanks Dr Delamora for your reply Now I inderstand that and according to this raison "geometrical frustration" , is there any structural distortion in the planes (100) and (11

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-09 Thread Abderrahmane Reggad
Thanks Dr Delamora for your reply Now I inderstand that and according to this raison "geometrical frustration" , is there any structural distortion in the planes (100) and (110) for the NaCl structure. Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Al

Re: [Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-09 Thread delamora
ien] Why the antiferromagnetic structure of Cr is still cubic Dear wien2k users I have read that the antiferromagnetic ordering is accompanied with a little structural distortion as in the case of NiO. This latter is characterized by a distortion from NaCl to rhomboherdral structure; but for the

[Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-09 Thread ABDERRAHMANE REGGAD
Dear wien2k users I have read that the antiferromagnetic ordering is accompanied with a little structural distortion as in the case of NiO. This latter is characterized by a distortion from NaCl to rhomboherdral structure; but for the chromide Cr the structure is still cubic when there is a magnet

[Wien] Why the antiferromagnetic structure of Cr is still cubic

2016-06-09 Thread Abderrahmane Reggad
Dear wien2k users I have read that the antiferromagnetic ordering is accompanied with a little structural distortion as in the case of NiO. This latter is characterized by a distortion from NaCl to rhomboherdral structure; but for the chromide Cr the structure is still cubic when there is a magnet