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10.1038/s41598-017-04427-9 http://scihub22266oqcxt.onion/10.1038/s41598-017-04427-9 C5481344!5481344 !28642615     free     free     free Deprecated: Implicit conversion from float 227.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 227.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 227.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 227.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Warning: imagejpeg(C:\Inetpub\vhosts\kidney.de\httpdocs\phplern\28642615 .jpg): Failed to open stream: No such file or directory in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 117       Sci+Rep 2017 ; 7 (1 ): 4058 Nephropedia Template TP {{tp|p=28642615 |t=2017. The Bethe-Slater curve revisited; new insights from electronic structure theory |pdf=|usr=}}{{28642615 }} gab.com Text The Bethe-Slater curve revisited; new insights from electronic structure theory JO: Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=28642615 #FOAvip The Bethe-Slater (BS) curve describes the relation between the exchange coupling and interatomic distance. Based on a simple argument of orbital overlaps, it successfully predicts the transition from antiferromagnetism to ferromagnetism, when traversing the 3d series. In a previous article [Phys. Rev. Lett. 116, 217202 (2016)] we reported that the dominant nearestneighbour (NN) interaction for 3d metals in the bcc structure indeed follows the BS curve, but the trends through the series showed a richer underlying physics than was initially assumed. The orbital decomposition of the inter-site exchange couplings revealed that various orbitals contribute to the exchange interactions in a highly non-trivial and sometimes competitive way. In this communication we perform a deeper analysis by comparing 3d metals in the bcc and fcc structures. We find that there is no coupling between the E (g) orbitals of one atom and T (2g) orbitals of its NNs, for both cubic phases. We demonstrate that these couplings are forbidden by symmetry and formulate a general rule allowing to predict when a similar situation is going to happen. In ?-Fe, as in ?-Fe, we find a strong competition in the symmetry-resolved orbital contributions and analyse the differences between the high-spin and low-spin solutions. Twit Text FOAVip The Bethe-Slater curve revisited; new insights from electronic structure theory ????Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=28642615 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=28642615 #FOAvip English Wikipedia <ref>{{Cite pmid|28642615 }}</ref> The Bethe-Slater curve revisited; new insights from electronic structure theory #MMPMID28642615 Cardias R ; Szilva A ; Bergman A ; Marco ID ; Katsnelson MI ; Lichtenstein AI ; Nordström L ; Klautau AB ; Eriksson O ; Kvashnin YO Sci Rep 2017[Jun]; 7 (1 ): 4058 PMID28642615 show ga The Bethe-Slater (BS) curve describes the relation between the exchange coupling and interatomic distance. Based on a simple argument of orbital overlaps, it successfully predicts the transition from antiferromagnetism to ferromagnetism, when traversing the 3d series. In a previous article [Phys. Rev. Lett. 116, 217202 (2016)] we reported that the dominant nearestneighbour (NN) interaction for 3d metals in the bcc structure indeed follows the BS curve, but the trends through the series showed a richer underlying physics than was initially assumed. The orbital decomposition of the inter-site exchange couplings revealed that various orbitals contribute to the exchange interactions in a highly non-trivial and sometimes competitive way. In this communication we perform a deeper analysis by comparing 3d metals in the bcc and fcc structures. We find that there is no coupling between the E (g) orbitals of one atom and T (2g) orbitals of its NNs, for both cubic phases. We demonstrate that these couplings are forbidden by symmetry and formulate a general rule allowing to predict when a similar situation is going to happen. In ?-Fe, as in ?-Fe, we find a strong competition in the symmetry-resolved orbital contributions and analyse the differences between the high-spin and low-spin solutions. äThe Bethe-Slater curve revisited; new insights from electronic structu(epmc).pdf DeepDyve Pubget Overpricing