Related papers: Interatomic forces for transition metals including…
We develop an Fe-C-H interatomic potential based on the modified embedded-atom method (MEAM) formalism based on density functional theory to enable large-scale modular dynamics simulations of carbon steel and hydrogen.
We present a general formalism for deriving the thermodynamics of ferromagnets consisting of "atoms" carrying an arbitrary irreducible representation of $SU(N)$ and coupled through long-range two-body quadratic interactions. Using this…
We present an ab-initio-based effective interaction model (EIM) for the study of magnetism, thermodynamics, and their interplay in body-centered cubic Fe-Co alloys, with Co content from 0 to 70%. The model includes explicitly both spin and…
We address the possible occurrence of ultracold atom ferromagnetism by evaluating the free energy of a spin polarized Fermi gas to second order in its interaction parameter. We find that Hartree-Fock theory underestimates the tendency…
Ferroelectric altermagnets (FEAMs) offer unique magnetoelectric coupling properties by combining the characteristics of both antiferromagnets and ferromagnets, yet their multifunctional electric control remains largely unexplored. Here, we…
Altermagnets and fully-compensated ferrimagnets are two canonical classes of zero-net-moment magnets. An altermagnetic (AM) half-metal cannot exist due to its AM spin splitting, while a fully-compensated ferrimagnetic (FC-FIM) metal seems…
Recent years have seen a proliferation in investigations on Altermagnetism due to its exciting prospects both from an applications perspective and theoretical standpoint. Traditionally, altermagnets are distinguished from collinear…
The present article concludes that a ferromagnetic sample could be considered like a paramagnetic system where the role of magnetic moments plays magnetic domains. Based on this conclusion and taking into account presence of an anisotropic…
A semi-empirical formalism based on the second moment tight binding approach, considering two bands is presented for deriving interatomic potentials for magnetic d-band materials and transition metal alloys. It incorporates an empirical…
A large class of correlated quantum materials feature strong Hund's coupling. Yet cold-atom quantum simulators have so far focused primarily on single-orbital Fermi-Hubbard systems near a Mott insulator. Here we show that repulsively…
We study ferromagnetic transition in three-dimensional double-exchange model. The influence of strong spin fluctuations on conduction electrons is described in coherent potential approximation. In the framework of thermodynamic approach we…
We study paramagnetic - ferromagnetic transition due to exchange interaction between classical localized magnetic moments and conduction electrons. We formulate the Dynamical Mean Field Approximation equations for arbitrary electron…
We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that when superposed onto the potentials for the pure elements can reproduce not only the heat of mixing of the solid solution…
We explore the derivation of interatomic exchange interactions in ferromagnets within density-functional theory (DFT) and the mapping of DFT results onto a spin Hamiltonian. We delve into the problem of systems comprising atoms with strong…
Ferromagnetism is an iconic example of a first-order phase transition taking place in spatially extended systems and is characterized by hysteresis and the formation of domain walls. In this paper we demonstrate that an extended atomic…
There are two views of antiferromagnets. The first proceeds from atomic physics, which predicts that atoms with unpaired electrons develop magnetic moments. In a solid, the coupling between moments on nearby ions then yields…
We propose a spin model with a new kind of ferromagnetic interaction, which may be called {\it ferromagnetic coupling with threshold}. In this model the contribute of a given spin to the total energy has only two possible values and depends…
Motivated by the experimental finding of Ferromagnetism (FM) near non-FL quantum phase transitions (QPT), I investigate FM in an Extended Periodic Anderson Model (EPAM). Using the Frobenius-Perron theorem, a FM {\it metallic} phase near the…
The embedded atom method (EAM) potentials are probably the most widely used interatomic potentials for metals and alloys. However, the EAM potentials impose three constraints on elastic constants that are inconsistent with experiments. At a…
The magnetic properties of a variety of materials with promise for technological applications have been described by models in which fermions are coupled to local moment spins. Monte Carlo studies of such models usually ignore…