相关论文: Surface Phase Transitions Induced by Electron Medi…
The structure and energetics of Ge substitutional defects on the alpha-Sn/Ge(111) surface are analyzed using Density Functional Theory (DFT) molecular dynamics (MD) simulations. An isolated Ge defect induces a very local distortion of the…
Adsorbate engineering offers a seemingly simple approach to tailor spin-orbit interactions in atomically thin materials and thus to unlock the much sought-after topological insulating phases in two dimensions. However, the observation of an…
The ordered adsorbate layer Sn/Si(111) $(\sqrt 3 \times \sqrt 3)$ with coverage of one third of a monolayer is considered as a realization of strong electronic correlation in surface physics. Our theoretical analysis shows that…
Attractive negative-$U$ interactions between electrons facilitated by strong electron-phonon interaction are common in highly polarizable and disordered materials such as amorphous chalcogenides, but there is no direct evidence for them in…
An anisotropic metallic phase dubbed electronic nematic phase bounded by two consecutive metamagnetic transitions has been reported in the bilayer ruthenate Sr3Ru2O7. It has also been shown that the nematic and the accompanying metamagnetic…
We present a theory of the metal-insulator transition in a disordered two-dimensional electron gas. A quantum critical point, separating the metallic phase which is stabilized by electronic interactions, from the insulating phase where…
We have extended the validity of the correlation between the surface 3d-core-level shift (SCLS) and the surface d band shift (SDBS) to the entire 4d transition metal series and to the neighboring elements Sr and Ag via accurate…
Controlling magnetism of transition metal atoms by pairing with $\pi$ electronic states of graphene is intriguing. Herein, through first - principle computation we explore the possibility of switching magnetization by forming the…
Understanding the mechanism of structural phase transitions in rare-earth elements is a fundamental challenge in condensed matter physics, with significant implications for materials science applications. In this study, we present a…
We study the phase diagram of R_{1-x}A_xMnO_3 (R=La, Pr, Nd, Sm ; A=Ca, Sr, Ba) by taking into account the degeneracy of $e_g$ orbitals and the anisotropy of the transfer integral. The electron-electron interaction is treated in the mean…
The metal-insulator transition (MIT) in rare-earth nickelates exemplifies the intricate interplay between electronic correlations and lattice dynamics in quantum materials. This work focuses on SmNiO$_3$ as a prototypical system, employing…
The density functional plus U method is used to obtain the electronic structure, lattice relaxation and metal-insulator phase diagram of superlattices consisting of $m$ layers of Gadolinium Titanate (GdTiO$_{3}$) alternating with $n$ layers…
La$_3$Ni$_2$O$_7$, a bilayer nickelate with Ruddlesden-Popper structure, undergoes a pressure-induced structural transition from a tilted Amam phase to an untilted Fmmm (or I4/mmm) phase near 10-15 GPa, concomitant with the emergence of…
We investigate a symmetry protected $Z_2$ topological electron glass -- a glassy equivalent of the $Z_2$ topological band insulator in crystalline systems -- and uncover associated quantum phase transitions in this three dimensional…
Motivated by recent research of Nikitin et al. (J.Phys.D vol. 49, 055301(2009)), we examine the effects of interatomic interactions on adatom surface diffusion. By using a mean-field approach in the random walk problem, we derive a…
It is shown that metamagnetic transition in metals can occur via the formation of electronic nematic order. We consider a simple model where the spin-dependent Fermi surface instability gives rise to the formation of an electronic nematic…
From the low-energy model, the topological field theory indicates that the surface magnetization can open a surface gap in 3D topological insulators (TIs), resulting in a half-quantized Hall conductance. Here by employing the realistic…
We have applied a double decoupled localized level Anderson-Newns Hamiltonian to the analysis of surface effects upon the ionized fraction $\mathcal{R}_{+}$ of sputtered atoms from a metal surface. Electronic excitations, induced in the…
We present a new model of plasma-condensate system, by taking into account an anisotropy of transference reactions of adatoms between neighbor layers of multi-layer system, caused by the strength of the electric field near substrate. We…
The time-dependent, mean-field Newns-Anderson model for a spin-polarised adsorbate approaching a metallic surface is solved in the wide-band limit. Equations for the time-evolution of the electronic structure of the adsorbate-metal system…