相关论文: Electronic topological transition and non-collinea…

We compute the thermodynamic phase diagram of seventeen elemental metals with hexagonal close-packed (hcp), face-centered cubic (fcc), and body-centered cubic (bcc) crystal structures using finite-temperature density functional theory.…

Phase transition is a fundamental phenomenon in condensed matter physics, in which states of matter transform to each other with various critical behaviors under different conditions. The magnetic martensitic transformation features…

Solid-solid phase transitions in metals are traditionally driven by changes in density or external pressure. Here we show that, under strong electronic excitation, structural stability is governed by the interplay between electronic effects…

We present a systematic investigation of molecule-metal interactions for transition-metal phthalocyanines (TMPc, with TM = Fe, Co, Ni, Cu) adsorbed on Ag(100). Scanning tunneling spectroscopy and density functional theory provide insight…

Pressure-induced changes in the Fermi surface of Cd up to 40 GPa are studied using highly accurate density-functional theory calculations. The topology of Fermi surface changes at pressures of 2, 8, 12 , 18 and 28 GPa indicating electronic…

We discover that hcp phases of Fe and Fe0.9Ni0.1 undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests itself through anomalous behavior of the Debye sound…

We show, theoretically, that the phase of the interlayer exchange coupling (IEC) undergoes a topological change of approximately $2\pi$ as the chemical potential of the ferromagnetic (FM) lead moves across a hybridization gap (HG). The…

A major challenge in condensed matter physics is integrating topological phenomena with correlated electron physics to leverage both types of states for next-generation quantum devices. Metal-insulator transitions (MITs) are central to…

We present Gibbs free-energy phase diagrams for compressed iron within a pressure range of 20 to 300 GPa and electronic temperature up to 3 eV obtained using finite-temperature density functional and density functional perturbation…

Using a first principles based, magnetic tight-binding total energy model, the magnetization energy and moments are computed for various ordered spin configurations in the high pressure polymorphs of iron (fcc, or $\gamma$-Fe, and hcp, or…

The magnetic, thermal and transport properties as well as electronic band structure of MnPtSi are reported. MnPtSi is a metal that undergoes a ferromagnetic transition at $T_{\mathrm{C}}=340$(1) K and a spin-reorientation transition at…

We have discovered a new nontrivial aspect of electronic topological transition (ETT) in a 2D free fermion system on a square lattice. The corresponding exotic quantum critical point, \delta=\delta_c, T=0, (n=1-\delta is an electron…

We study the superconducting properties of a two-dimensional superconductor in the proximity to an electronic topological transition (ETT). In contrast to the 3D case, we find that the superconducting gap at T=0, the critical temperature…

Topological insulators are non-trivial quantum states of matter which exhibit a gap in the electronic structure of their bulk form, but a gapless metallic electronic spectrum at the surface. Here, we predict a uniaxial strain induced…

Ji et al. report performing X-ray diffraction on hydrogen compressed to over 250 GPa (https://doi.org/10.1038/s41586-019-1565-9). It is a remarkable technical achievement. However, the experimental data presented and discussed in the paper…

The effect of magnetic STM-tip on electronic, magnetic and electronic transport properties through the molecule junction STM-tip-Co/CoPc/Co(111), has been investigated by mean of ab initio electronic structure calculations. The spin…

We consider a two-dimensional quantum spin system described by a Heisenberg model that is embedded in a three-dimensional metal. The two systems couple via an antiferromagnetic Kondo interaction. In such a setup, the ground state…

The elastic constant tensors for the hcp phases of three transition metals (Co, Re, and Fe) are computed as functions of pressure using the Linearized Augmented Plane Wave method with both the local density and generalized gradient…

It is shown that a 2D system of free fermions on a square lattice with hoping between more than nearest neighbours undergoes a fundamental electronic topological transition (ETT) at some electron concentration n_c. The point…

Despite its fully unitary dynamics, the bosonic Kitaev chain (BKC) displays key hallmarks of non-Hermitian physics including non-reciprocal transport and the non-Hermitian skin effect. Here we demonstrate another remarkable phenomena: the…