## WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties

- Peter Blaha, Karlheinz Schwarz, +5 authors Laurence Marks
- 2019

2 Excerpts

@inproceedings{Ghimire2014HalfMF, title={Half metallic ferromagnetism in tri-layered perovskites Sr\$_4\$T\$_\{3\}\$O\$_\{10\}\$ (T=Co, Rh)}, author={Madhav Prasad Ghimire and R. K. Thapa and Dr. Pankaj Rai and Sandeep and T. P. Sinha and Xiao Hu}, year={2014} }

- Published 2014
DOI:10.1063/1.4907933

First-principles density functional theory (DFT) is used to investigate the electronic and magnetic properties of Sr$_4$Rh$_3$O$_{10}$, a member of the Ruddlesden-Popper series. Based on the DFT calculations taking into account the co-operative effect of Coulomb interaction ($U$) and spin-orbit couplings (SOC), Sr$_4$Rh$_3$O$_{10}$ is found to be a half metallic ferromagnet (HMF) with total angular moment $\mu_{\rm {tot}}$=12$\mu_B$ per unit cell. The material has almost 100$\%$ spin… CONTINUE READING