ترغب بنشر مسار تعليمي؟ اضغط هنا

Structure, phase stability, half-metallicity, and fully spin-polarized Weyl states in compound NaV2O4: a new example for topological spintronic material

64   0   0.0 ( 0 )
 نشر من قبل Xiaoming Zhang
 تاريخ النشر 2020
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

Here, we systematically investigate the structure, phase stability, half-metallicity, and topological electronic structure for a new topological spintronic material NaV2O4. The material has a tetragonal structure with excellent dynamical and thermal stabilities. It shows a half-metallic ground state, where only the spin-up bands present near the Fermi level. These bands form a Weyl nodal line close to the Fermi level, locating in the kz = 0 plane. The nodal line is robust against SOC, under the protection of the mirror symmetry. The nodal line band structure is very clean, thus the drumhead surface states can be clearly identified. Remarkably, the nodal line and drumhead surface states have the 100% spin polarization, which are highly desirable for spintronics applications. In addition, by shifting the magnetic field in-plane, we find that the Weyl nodal line can transform into single pair of Weyl nodes. The Weyl-line and Weyl-node fermions in the bulk, as well as the drumhead fermions on the surface are all fully spin-polarized, which may generate new physical properties and promising applications.

قيم البحث

اقرأ أيضاً

Density functional theory calculations demonstrate that rocksalt MgN is a magnetic material at the verge of half-metallicity, with an electronic structure robust against strong correlations and spin-orbit interaction. Furthermore the calculated heat of formation describes the compound as metastable and suggests that it can be fabricated by tuning the relative Mg and N abundance during growth. Intriguingly the equilibrium lattice constant is close to that of MgO, so that MgN is likely to form as an inclusion during the fabrication of N-doped MgO. We then speculate that the MgO/MgN system may represent a unique materials platform for magnetic tunnel junctions not incorporating any transition metals.
Nodal-chain fermions, as novel topological states of matter, have been hotly discussed in non-magnetic materials. Here, by using first-principles calculations and symmetry analysis, we propose the realization of fully spin-polarized nodal chain in th e half-metal state of LiV$_2$O$_4$ compound. The material naturally shows a ferromagnetic ground state, and takes on a half-metal band structure with only the bands from the spin-up channel present near the Fermi level. The spin-up bands cross with each other, which form two types of nodal loops. These nodal loops arise from band inversion and are under the protection of the glide mirror symmetries. Remarkably, we find the nodal loops conjunct with each other and form chain-like nodal structure. Correspondingly, the w-shaped surface states are also fully spin-polarized. The fully spin-polarized nodal chain identified here has not been proposed in realistic materials before. An effective model is constructed to describe the nature of nodal chain. The effects of the electron correlation, the lattice strains, and the spin-orbit coupling are discussed. The fully spin-polarized bulk nodal-chain and the associated nontrivial surface states for a half-metal may open novel applications in spintronics.
116 - Wentao Hu , Ke Yang , Xuan Wen 2021
Cobaltates have rich spin-states and diverse properties. Using spin-state pictures and firstprinciples calculations, here we study the electronic structure and magnetism of the mixed-valent double perovskite YBaCo2O6. We find that YBaCo2O6 is in the formal intermediate-spin (IS) Co3+/low-spin (LS) Co4+ ground state. The hopping of eg electron from IS-Co3+ to LS-Co4+ via double exchange gives rise to a ferromagnetic half-metallicity, which well accounts for the recent experiments. The reduction of both magnetization and Curie temperature by oxygen vacancies is discussed, aided with Monte Carlo simulations. We also explore several other possible spin-states and their interesting electronic/magnetic properties. Moreover, we predict that a volume expansion more than 3% would tune YBaCo2O6 into the high-spin (HS) Co3+/LS Co4+ ferromagnetic state and simultaneously drive a metal-insulator transition. Therefore, spin-states are a useful parameter for tuning the material properties of cobaltates.
Weyl semimetals with time reversal symmetry breaking are expected to show various fascinating physical behaviors, such as intrinsic giant anomalous Hall effect, chiral anomaly effect in the bulks, and Fermi arcs on the surfaces. Here we report a scan ning tunneling microscopy study on the magnetic Weyl semimetal candidate Co$_3$Sn$_2$S$_2$. According to the morphology and local density of states of the surface, we provide assignments to different surface terminations. The measured local density of states reveals a semimetal gap of ~300 mV, which is further verified as the gap in spin-minority bands using spin-resolved tunneling spectra. Additionally, signature for the nontrivial surface states around 50 mV is proposed. This is further confirmed by the observations of standing waves around a step-edge of the sample. Our observations and their comparison with band structure calculations provide direct yet timely evidence for the bulk and surface band structures of the magnetic Weyl semimetal Co$_3$Sn$_2$S$_2$.
Recent interest in topological semimetals has lead to the proposal of many new topological phases that can be realized in real materials. Next to Dirac and Weyl systems, these include more exotic phases based on manifold band degeneracies in the bulk electronic structure. The exotic states in topological semimetals are usually protected by some sort of crystal symmetry and the introduction of magnetic order can influence these states by breaking time reversal symmetry. Here we show that we can realize a rich variety of different topological semimetal states in a single material, $rm CeSbTe$. This compound can exhibit different types of magnetic order that can be accessed easily by applying a small field. It allows, therefore, for tuning the electronic structure and can drive it through a manifold of topologically distinct phases, such as the first nonsymmorphic magnetic topological material with an eight-fold band crossing at a high symmetry point. Our experimental results are backed by a full magnetic group theory analysis and ab initio calculations. This discovery introduces a realistic and promising platform for studying the interplay of magnetism and topology.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا