We present detailed investigations of the magnetic properties of an Fe monolayer on W and Ta (110) surfaces based on the ab initio screened Korringa-Kohn-Rostoker method. By calculating tensorial exchange coupling coefficients, the ground states of the systems are determined using atomistic spin dynamics simulations. Different types of ground states are found in the systems as a function of relaxation of the Fe layer. In case of W(110) substrate this is reflected in a reorientation of the easy axis from in-plane to out-of-plane. For Ta(110) a switching appears from the ferromagnetic state to a cycloidal spin spiral state, then to another spin spiral state with a larger wave vector and, for large relaxations, a rotation of the normal vector of the spin spiral is found. Classical Monte Carlo simulations indicate temperature-induced transitions between the different magnetic phases observed in the Fe/Ta(110) system. These phase transitions are analyzed both quantitatively and qualitatively by finite-temperature spin wave theory.
Machine learning model for efficient nonthermal tuning of the charge density wave in monolayer NbSe$_2$
Ruđer Bošković Institute（鲁德·博什科维奇研究所）；Dipartimento di Scienze Fisiche, Informatiche e Matematiche, Università degli Studi di Modena e Reggio Emilia（摩德纳和雷焦艾米利亚大学物理、信息和数学科学系）；CNR NANO S3（意大利国家研究委员会纳米S3研究所）；Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford（牛津大学化学系无机化学实验室）；Centre for Advanced Laser Techniques, Institute of Physics, Zagreb（萨格勒布物理研究所先进激光技术研究中心）
