| | |
| | |
Stat |
Members: 3667 Articles: 2'599'751 Articles rated: 2609
16 February 2025 |
|
| | | |
|
Article overview
| |
|
Magnetization dynamics with time-dependent spin-density functional theory: significance of exchange-correlation torques | Daniel Hill
; Justin Shotton
; Carsten A. Ullrich
; | Date: |
4 Jan 2023 | Abstract: | In spin-density-functional theory (SDFT) for noncollinear magnetic materials,
the Kohn-Sham system features exchange-correlation (xc) scalar potentials and
magnetic fields. The significance of the xc magnetic fields is not very well
explored; in particular, they can give rise to local torques on the
magnetization, which are absent in standard local and semilocal approximations.
Exact benchmark solutions for a five-site extended Hubbard lattice at half
filling and in the presence of spin-orbit coupling are compared with SDFT
results obtained using orbital-dependent exchange-only approximations. The
magnetization dynamics following short-pulse excitations is found to be
reasonably well described in the exchange-only approximation for weak to
moderate interactions. For stronger interactions and near transitions between
magnetically ordered and frustrated phases, exchange and correlation torques
tend to compensate each other and must both be accounted for. | Source: | arXiv, 2301.01509 | Services: | Forum | Review | PDF | Favorites |
|
|
No review found.
Did you like this article?
Note: answers to reviews or questions about the article must be posted in the forum section.
Authors are not allowed to review their own article. They can use the forum section.
|
| |
|
|
|