arXiv subjects

Yue-Hua Su

Publications and source records attributed to Yue-Hua Su.

3 recordsLinked to original sources

arXiv2021

Phase transition and enhanced hardness of LaB4 under pressure

The crystalline structures of lanthanum tetraboride, LaB4, under pressure are investigated using a genetic algorithm method coupled with first-principles calculations. We find two low-enthalpy phases for LaB4 as the thermodynamic ground state up to 200 GPa: a phase previously observed in experiments (P4/mbm) and a novel orthorhombic phase (Pnma-I). The P4/mbm phase transforms to the Pnma-I phase at around 106 GPa, accompanied by breakage of the B-octahedron. The P4/mbm phase of LaB4 exhibits a high hardness (30.5 GPa) at ambient conditions, which is comparable to that of the hard material B4C. The hardness of the two low-enthalpy phases increases with pressure. The electronic band structures shows that all of the competitive phases (two stable and two metastable phases) are metallic. Phonon calculations shows the P4/mbm and Pnma-I phases are thermodynamically stable in their respective pressure ranges. This elucidation of the phase transition behavior and hardness of LaB4 provides new knowledge on the interesting high-pressure behaviors of the rare-earth metal borides.

cond-mat.mtrl-sci↗

arXiv2010

Lifshitz transitions in a heavy-Fermion liquid driven by short-range antiferromagnetic correlations in the two-dimensional Kondo lattice model

The heavy-Fermion liquid with short-range antiferromagnetic correlations is carefully considered in the two-dimensional Kondo-Heisenberg lattice model. As the ratio of the local Heisenberg superexchange $J_{H}$ to the Kondo coupling $J_{K}$ increases, Lifshitz transitions are anticipated, where the topology of the Fermi surface (FS) of the heavy quasiparticles changes from a hole-like circle to four kidney-like pockets centered around $(π,π)$. In-between these two limiting cases, a first-order quantum phase transition is identified at $J_{H}/J_{K}=0.1055$ where a small circle begins to emerge within the large deformed circle. When $J_{H}/J_{K}=0.1425$, the two deformed circles intersect each other and then decompose into four kidney-like Fermi pockets via a second-order quantum phase transition. As $J_{H}/J_{K}$ increases further, the Fermi pockets are shifted along the direction ($π,π$) to ($π/2,π/2$), and the resulting FS is consistent with the FS obtained recently using the quantum Monte Carlo cluster approach to the Kondo lattice system in the presence of the antiferrmagnetic order.

cond-mat.str-el↗

arXiv2009

Universal linear-temperature dependence of static magnetic susceptibility in iron-pnictides

A universal linear-temperature dependence of the uniform magnetic susceptibility has been observed in the nonmagnetic normal state of iron-pnictides. This non-Pauli and non-Curie-Weiss-like paramagnetic behavior cannot be understood within a pure itinerant picture. We argue that it results from the existence of a wide antiferromagnetic fluctuation window in which the local spin-density-wave correlations exist but the global directional order has not been established yet.

cond-mat.str-el↗