相关论文: Ab-inito study on different phases of ferromagneti…

First-principles based on density functional theory is used to study the phase stability, elastic, magnetic, and electronic properties of cubic (c)-Fe$_4$C. Our results show that c-Fe$_{4}$C has a ferromagnetic (FM) ground state structure…

To seek half-metallic ferromagnets compatible with the GeSi semiconductor, we use state-of-the-art density-functional-theory methods to study cubic $\mathrm{VGe_3Si_4}$. After optimizing its crystal structure with various magnetic orders…

Cubic spinel GeNi2O4 exhibits intriguing magnetic properties with two successive antiferromagnetic phase transitions (TN1 12.1 and TN2 11.4 K) with the absence of any structural transition. We have performed detailed heat capacity and…

The heavy fermion material CeB6 shows hidden magnetic ordered phases. Besides well-known Ferromagnetic(FM) and Antiferromagnetic(AFM) phases, CeB6 is speculated to form a unique antiferroquadrupolar (AFQ) phase that is orbital in nature.…

It was discovered in La1-xSrxMnO3(x~1/8) that a field induced phase transition occurs from a ferromagnetic metal(FM) phase to a ferromagnetic insulator (FI) phase. The magnetization shows a sharp jump at the transition field accompanying…

Ab-initio results for structural and electronic properties of NaCl-type FeN are presented in a framework of plane-wave and ultrasoft pseudopotentials. Competition among different magnetic ordering is examined. We find the ferromagnetic…

Cubic CeZn shows a structural phase transition under pressure, and it modifies the ground state from an antiferromagnetic (AFM) state to a ferromagnetic (FM) state. To investigate how the FM state terminates at a quantum phase transition,…

Co3Si was recently reported to exhibit remarkable magnetic properties in the nanoparticle form [Appl. Phys. Lett. 108, 152406 (2016)], yet better understanding of this material is to be promoted. Here we report a study on the crystal…

SmN is a ferromagnetic semiconductor with the unusual property of an orbital-dominant magnetic moment that is largely cancelled by an antiparallel spin contribution, resulting in a near-zero net moment. However, there is a basic gap in the…

The ground-state properties of the S=1/2 frustrated Heisenberg spin chain with interactions up to fourth nearest neighbors are investigated by the exact-diagonalization method and density matrix renormalization group method. Our numerical…

Crystal structure, specific heat, thermal expansion, magnetic susceptibility and electrical resistivity studies of the heavy fermion system CeNi_{9-x}Cu_xGe_4 (0 <= x <= 1) reveal a continuous tuning of the ground state by Ni/Cu…

The Ce$_{3-x}$Mg$_x$Co$_{9}$ system evolves from a Pauli paramagnetic ground state for $x = 0$ to a ferromagnetic ground state for $x\approx0.80$ in single phase, polycrystalline samples [Phys. Rev. Applied 9, 024023 (2018)]. In order to…

Simulating low-temperature properties of three-dimensional frustrated quantum magnets is challenging due to the sign problem and the system sizes required to mitigate substantial finite-size effects. However, there are many experimental…

We put a spotlight on the exceptional magnetic properties of the metamagnetic Heusler alloy (Ni,Co)-Mn-Sn by means of first principles simulations. In the energy landscape we find a multitude of local minima, which belong to different…

The electronic bandstructure and the Fermi surfaces of ferromagnetic CeRh3B2 are calculated by using FLAPW and LSDA+U method. As assuming several kinds of the ground state to describe the 4f electronic state, we propose a fully orbital- and…

We construct exact non-trivial ground states of spin-2 quantum antiferromagnets on the hexagonal lattice. Using the optimum ground state approach we determine the ground state in different subspaces of a general spin-2 Hamiltonian…

Magnetic properties and bonding analyses of perovskite structure Co$_{4}$N nitride have been investigated within density functional theory using both pseudo potential and all electron methods. In the same time, the structural and magnetic…

We show that an antiferrosmectic-C phase has lower energy at high densities than the non-magnetized Fermi gas and ferronematic phases in an ultracold gas of fermionic atoms, or molecules, with large magnetic dipole moments. This phase,…

The ``14-1-11'' phase compounds based on magnetic Mn ions and typified by Ca14MnBi11 and Ba14MnBi11 show unusual magnetic behavior, but the large number (104) of atoms in the primitive cell has precluded any previous full electronic…

Ground state magnetic phase diagrams of the square and simple cubic lattices are investigated for the narrow band Hubbard model within the slave-boson approach by Kotliar and Ruckenstein. The transitions between saturated (half-metallic)…