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Determinant Quantum Monte Carlo (DQMC) is used to study the effect of non-zero hopping t_f in the localized f-band of the periodic Anderson model (PAM) in two dimensions. The low temperature properties are determined in the plane of…

Strongly Correlated Electrons · Physics 2015-07-03 Axel Euverte , Simone Chiesa , Richard T. Scalettar , George G. Batrouni

Experiments showed that solute Mn in bcc iron is in antiferromagnetic (AFM) coupling with iron neighbours below 2 at.% Mn, but is in ferromagnetic (FM) coupling at higher concentrations. Surprisingly, although Mn is an important alloying…

Identifying and characterizing systems with coupled and competing interactions is central to the development of physical models that can accurately describe and predict emergent behavior in condensed matter systems. This work demonstrates…

Strongly Correlated Electrons · Physics 2016-10-19 Andrew F. May , Stuart Calder , David S. Parker , Brian C. Sales , Michael A. McGuire

We present a detailed magnetic study of the Pr1/3Ca2/3MnO3 manganite, where we observe the presence of small ferromagnetic (FM) domains (diameter ~ 10A) immersed within the charge-ordered antiferromagnetic (AFM) host. Due to the interaction…

Materials Science · Physics 2009-11-11 D. Niebieskikwiat , M. B. Salamon

We study exchange interactions in iron and nickel within the DFT+DMFT approach with density-density and SU(2) symmetric Coulomb interaction. In particular, we analyze the representation of exchange interactions through the electron…

Strongly Correlated Electrons · Physics 2025-08-25 A. A. Katanin

We present a study of the critical phenomena around the quantum critical point in heavy-fermion systems. In the framework of the S=1/2 Kondo lattice model, we introduce an extended decoupling scheme of the Kondo interaction which allows one…

Strongly Correlated Electrons · Physics 2009-10-31 M. Lavagna , C. Pépin

We explore possible ways to manipulate the intrinsic edge magnetism in hexagonal graphene nanoflake with zigzag edges, using density functional theory supplemented with on-site Coulomb interaction. The effect of carrier doping, chemical…

Mesoscale and Nanoscale Physics · Physics 2014-07-08 Mukul Kabir , T. Saha-Dasgupta

Interactions between rhenium impurities in silicon are investigated by means of the density functional theory (DFT) and the DFT+U scheme. All couplings between impurities are ferromagnetic except the Re-Re dimers which in the DFT method are…

Materials Science · Physics 2012-07-13 Malgorzata Wierzbowska

The magnetic properties of Nd${}_2$Fe${}_{14}$B (NFB)/transition metal (TM = Fe, Co) multilayer systems are studied on the basis of first-principles density functional calculations. We optimize the model structure under a variety of…

Mesoscale and Nanoscale Physics · Physics 2016-01-13 Nobuyuki Umetsu , Yuta Toga , Akimassa Sakuma

We present our preliminary studies of an effective model of a superconductor with short coherence length involving magnetic interactions. The Hamiltonian considered consists of (i) the effective on-site interaction U, (ii) the intersite…

Strongly Correlated Electrons · Physics 2023-07-19 Konrad Kapcia

FeNbTe$_{2}$, long known as a van der Waals metallic system, has recently been resynthesized and shown to exhibit ferromagnetic order. In this study, using first-principles density functional theory (DFT), we aim to provide a deeper insight…

The magnetic properties of the $Fe_{1-x}Ru_x$ alloy system for 0 $\leq$ x $\leq$ 0.10 are studied by using a mean-field approximation based on the Bogoliubov inequality. Ferromagnetic Fe-Fe spin correlations and antiferromagnetic Fe-Ru and…

Statistical Mechanics · Physics 2015-05-13 C. Paduani , N. S. Branco

We study the modification of low temperature properties of quantum magnets such as magnetization, heat capacity, energy spectrum, and densities of condensed and noncondensed quasiparticles (triplons) due to anisotropies in the framework of…

Statistical Mechanics · Physics 2021-11-05 Abdulla Rakhimov , Asliddin Khudoyberdiev , Bilal Tanatar

We report experimental and theoretical studies on the magnetoelastic interactions in MnPS$_3$. Raman scattering response measured as a function of temperature shows a blue shift of the Raman active modes at 120.2 and 155.1 cm$^{-1}$, when…

The dynamics of the low energy excitations in a ferromagnet is studied in case a temperature gradient is coupled to the local magnetization. Due to the different time scales of changing temperature and magnetization it is argued that only…

Mesoscale and Nanoscale Physics · Physics 2011-12-26 Thomas Bose , Steffen Trimper

We investigate the magnetic behavior and critical exponents of quaternary CoFeV$_{0.8}$Mn$_{0.2}$Si Heusler alloy to understand the interactions across the Curie temperature ($T_{\rm C}$). The Rietveld refinement of the x-ray diffraction…

Materials Science · Physics 2023-10-04 Guru Dutt Gupt , P. D. Babu , R. S. Dhaka

An approach is proposed for evaluating dipolar and multipolar inter-site interactions in strongly correlated materials. This approach is based on the single-site dynamical mean-field theory (DMFT) in conjunction with the atomic…

Strongly Correlated Electrons · Physics 2016-09-13 L. V. Pourovskii

One of the remarkable properties of the II-VI diluted magnetic semiconductor (ZnMn)Se is the giant spin splitting of the valence band states under application of the magnetic field (giant Zeeman splitting). This splitting reveals strong…

Strongly Correlated Electrons · Physics 2007-05-23 L. M. Sandratskii

Correlated electron systems with competing interactions provide a valuable platform for examining exotic magnetic phases. Theoretical models often focus on nearest-neighbor interactions, although long-range interactions can have a…

Strongly Correlated Electrons · Physics 2025-03-28 Sudip Mandal , Sandip Halder , Kalpataru Pradhan

Body-centered cubic (bcc) Fe-Mn systems are known to exhibit a complex and atypical magnetic behaviour from both experiments and 0 K electronic-structure calculations, which is due to the half-filled 3d-band of Mn. We propose effective…

Materials Science · Physics 2021-01-20 Anton Schneider , Chu-Chun Fu , Osamu Waseda , Cyrille Barreteau , Tilmann Hickel