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Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral…

地球物理 · 物理学 2015-05-27 Han Hsu , Peter Blaha , Matteo Cococcioni , Renata M. Wentzcovitch

We investigate quantum phase transitions for the $s=1/2$ antiferromagnetic Heisenberg model on a pyrochlore lattice. By means of a series expansion starting from isolated tetrahedra, the ground-state phase diagram is determined. When the…

强关联电子 · 物理学 2009-10-31 Akihisa Koga , Norio Kawakami

We consider a two dimensional model of non-interacting chains of spinless fermions weakly coupled via a small inter-chain hopping and a repulsive inter-chain interaction. The phase diagram of this model has a surprising feature: an abrupt…

强关联电子 · 物理学 2015-05-18 Sam T. Carr , Jorge Quintanilla , Joseph J. Betouras

The magnetization processes of the spin-3/2 antiferromagnet LiInCr4O8 comprising a "breathing" pyrochlore lattice, which is an alternating array of small and large tetrahedra, are studied under ultrahigh magnetic fields of up to 130 T using…

We report on the structural evolution, spin phonon interactions, and magnetoelastic effects in bulk LaFeO3 perovskite across its antiferromagnetic transition. We found that while the lattice constants exhibit slight deviations at the Neel…

We construct a phase diagram of the parent compound Fe1+xTe as a function of interstitial iron x in terms of the electronic, structural, and magnetic properties. For a concentration of x < 10%, Fe1+xTe undergoes a "semimetal" to metal…

The spin-1/2 Heisenberg model on the pyrochlore lattice is an iconic frustrated three-dimensional spin system with a rich phase diagram. Besides hosting several ordered phases, the model is debated to possess a spin-liquid ground state when…

We present results on structural and magnetic properties of highly crystalline alpha-Fe2O3 nanoparticles of average size ~200 nm, synthesized from a novel sol-gel method using metal alkoxide precursor. These particles are multi-domain,…

材料科学 · 物理学 2013-02-27 G. F. Goya , M. Veith , R. Rapalavicuite , H. Shen , S. Mathur

High temperature atomic configurations of fcc Fe-Cr-Ni alloys with alloy composition close to austenitic steel are studied in statistical thermodynamic simulations with effective interactions obtained in ab initio calculations. The latter…

材料科学 · 物理学 2016-09-21 Andrei V. Ruban , Mohammad Dehghani

We propose that proximity of the first-order transition manifested by the quantum tricritical point (QTCP) explains non-Fermi-liquid properties of YbRh2Si2. Here, at the QTCP, a continuous phase transition changes into first order at zero…

强关联电子 · 物理学 2008-11-06 Takahiro Misawa , Youhei Yamaji , Masatoshi Imada

Er2Ti2O7 is believed to be a realization of an XY antiferromagnet on a frustrated lattice of corner-sharing regular tetrahedra. It is presented as an example of the order-by-disorder mechanism in which fluctuations lift the degeneracy of…

We study the phase diagram of the antiferromagnetic $J_1$-$J_2$ Heisenberg model on the pyrochlore lattice with $S=1$ spins at zero and finite temperatures. We use a combination of complementary state-of-the-art quantum many-body approaches…

强关联电子 · 物理学 2025-05-28 Imre Hagymási , Nils Niggemann , Johannes Reuther

Orthoferrites ($RE$FeO$_{3}$) containing rare-earth ($RE$) elements are 3D antiferromagnets (AFM) that exhibit characteristic weak ferromagnetism originating due to slight canting of the spin moments and display a rich variety of spin…

Strong quantum fluctuations in magnetic systems can create disordered quantum spin liquid phases of matter which are not predicted by classical physics. The complexity of the exotic phenomena on display in spin liquids has led to a great…

强关联电子 · 物理学 2020-05-11 Matthew C. O'Brien , Oleg P. Sushkov

Physical properties of a pyrohafnate compound Pr2Hf2O7 have been investigated by ac magnetic susceptibility \chi_ ac(T), dc magnetic susceptibility \chi(T), isothermal magnetization M(H) and heat capacity C_p(T) measurements on…

Epitaxial strain in thin films can yield surprising magnetic and electronic properties not accessible in bulk. One materials system destined to be explored in this direction are orthoferrites with two intertwined spin systems where strain…

Polycrystalline La1-xPbxMnO3+-y (x = 0.3, 0.35, 0.4) solid solutions were prepared by solid state reaction method and their magnetic properties have been investigated. Rietveld refinement of X-ray powder diffraction patterns showed that all…

材料科学 · 物理学 2021-02-11 Sagar Ghorai , Sergey A. Ivanov , Ridha Skini , Peter Svedlindh

The system of an iron phthalocyanine molecule on the Au(111) surface, has been studied recently due to its peculiar properties. In particular, several surprising results of scanning tunneling spectroscopy changing the position of the…

强关联电子 · 物理学 2022-05-19 A. A. Aligia

In many important situations the dominant dephasing mechanism in cryogenic rare-earth-ion doped systems is due to magnetic field fluctuations from spins in the host crystal. Operating at a magnetic field where a transition has a zero…

原子物理 · 物理学 2015-06-03 D. L. McAuslan , J. G. Bartholomew , M. J. Sellars , J. J. Longdell

We present the results of muon-spin relaxation measurements of spin excitations in the one-dimensional quantum Heisenberg antiferromagnet Cu(pyz)(NO$_{3}$)$_{2}$. Using density-functional theory we propose muon sites and assess the degree…