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First Principles Heisenberg Models of 2D magnetic materials: The Importance of Quantum Corrections to the Exchange Coupling
Daniele Torelli, Thomas Olsen
Magnetic materials are typically described in terms of the Heisenberg model, which provides an accurate account of thermodynamic properties when combined with first principles calc…
Theory and simulations of critical temperatures in CrI3 and other 2D materials: Easy-axis magnetic order and easy-plane Kosterlitz-Thouless transitions
Thomas Olsen
The recent observations of ferromagnetic order in several two-dimensional (2D) materials have generated an enormous interest in the physical mechanisms underlying 2D magnetism. In…
Accurate ground state- and quasiparticle energies: beyond the RPA and GW methods with adiabatic exchange-correlation kernels
Thomas Olsen, Christopher E. Patrick, Jefferson E. Bates +2
We review the theory and application of adiabatic exchange-correlation (xc-) kernels for ab initio calculations of ground state energies and quasiparticle excitations within the fr…
Towards Photoferroic Materials by Design: Recent Progresses and Perspective
Ivano E. Castelli, Thomas Olsen, Yunzhong Chen
The use of photoferroic materials that combine ferroelectric and light harvesting properties in a photovoltaic device is a promising route to significantly improve the efficiency o…
High throughput computational screening for 2D ferromagnetic materials: the critical role of anisotropy and local correlations
Daniele Torelli, Kristian S. Thygesen, Thomas Olsen
The recent observation of ferromagnetic order in two-dimensional (2D) materials has initiated a booming interest in the subject of 2D magnetism. In contrast to bulk materials, 2D m…