The Spin-Disorder Resistivity: The Disordered Local Moment Approach

2019 ◽  
Vol 289 ◽  
pp. 185-191
Author(s):  
J. Kudrnovsky ◽  
Vaclav Drchal ◽  
Ilja Turek ◽  
David Wagenknecht ◽  
Sergii Khmelevskyi

The spin-disorder resistivity (SDR) of a broad range of magneticmaterials, both ordered and disordered, is reviewed.We identify the SDR at the critical temperature with the residualresistivity of the corresponding system evaluated in the frameworkof the disordered local moment (DLM) model.The underlying electronic structure is determined in the frameworkof the tight-binding linear muffin-tin orbital method which employsthe coherent potential approximation to describe the DLM stateand chemical disorder.The DLM fixed-spin moment method is used in the case when the DLMmoment collapses.The Kubo-Greenwood approach is employed to estimate the resistivityof the DLM state.Formalism is applied to Fe and Ni and its alloys, Heusler alloys,and ordered ferromagnetic and antiferromagnetic alloys.Finally, the SDR of the Earth's core will be studied using thesame formalism.Calculations are compared with available experimental data.

2011 ◽  
Vol 25 (05) ◽  
pp. 735-745
Author(s):  
MOSHIOUR RAHAMAN ◽  
ABHIJIT MOOKERJEE

We use cluster generalization of the coherent potential approximation in the tight-binding linear muffin-tin orbital method to account for the effect of the local environment on electronic and magnetic properties of substitutional random alloys. This theory combines the augmented space formalism and conventional tight-binding linear muffin-tin orbital methods. In particular, we shall apply the technique to the bcc-based NiAl and fcc-based CuAu alloys and also compare with other approaches.


2012 ◽  
Vol 86 (14) ◽  
Author(s):  
J. Kudrnovský ◽  
V. Drchal ◽  
I. Turek ◽  
S. Khmelevskyi ◽  
J. K. Glasbrenner ◽  
...  

2013 ◽  
Vol 40 ◽  
pp. 12001 ◽  
Author(s):  
J. Kudrnovský ◽  
V. Drchal ◽  
I. Turek ◽  
S. Khmelevskyi ◽  
J. K. Glasbrenner ◽  
...  

2016 ◽  
Vol 18 (32) ◽  
pp. 22047-22061 ◽  
Author(s):  
Yoshio Nishimoto ◽  
Dmitri G. Fedorov

The electronic gap in proteins is analyzed in detail, and it is shown that FMO-DFTB/PCM is efficient and accurate in describing the molecular structure of proteins in solution.


2020 ◽  
Vol 102 (5) ◽  
Author(s):  
Kenji Nawa ◽  
Ivan Kurniawan ◽  
Keisuke Masuda ◽  
Yoshio Miura ◽  
Christopher E. Patrick ◽  
...  

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