相关论文: Tunable phase transitions in half-Heusler TbPtBi c…

The pressure-induced phase transition, elasticity behavior, thermodynamic properties, and $P\mathtt{-}T$ phase diagram of $\alpha$, $\omega$, and $\beta$ equiatomic HfTi alloy are investigated using first-principles density-functional…

Nodal-line semimetals are topological semimetals in which band touchings form nodal lines or rings. Around a loop that encloses a nodal line, an electron can accumulate a nontrivial $\pi$ Berry phase, so the phase shift in the Shubnikov-de…

The electronic properties of molecular conductors can be readily varied via physical or chemical pressure as it increases the bandwidth W; this enables crossing the Mott insulator-to-metal phase transition by reducing electronic…

We study with first-principles methods the interplay between bulk and surface Dirac fermions in three dimensional Dirac semimetals. By combining density functional theory with the coherent potential approximation, we reveal a topological…

We investigate the fidelity susceptibility (FS) of a two-dimensional spin-orbit coupled (SOC) Fermi superfluid and the topological phase transition driven by a Zeeman field in the perspective of its ground-state wave-function. Without…

We propose the metallic and weakly dispersive surface states of half-Heusler semimetals as a possible domain for the onset of unconventional surface superconductivity ahead of the bulk transition. Using density functional theory (DFT)…

Topological insulators are a class of band insulators with non-trivial topology, a result of band inversion due to the strong spin-orbit coupling. The transition between topological and normal insulator can be realized by tuning the…

Inspired by recent experimental observations of hybrid topological states [Hossain et al. Nature 628, 527 (2024)], we predict hybrid-order topological insulators in 1H transition metal compounds (TMCs), where both second-order and…

Based on fully relativistic first-principles calculations, we studied the topological properties of layered XIn$_2$P$_2$ (X = Ca, Sr). Band inversion can be induced by strain without SOC, forming one nodal ring in the k$_z$ = 0 plane, which…

In the reported study we have investigated the robust phase stability, elasto-mechanical, thermophysical and magnetic properties of KVSb half Heusler compound by implementing density functional theory models in Wien2k simulation package.…

We report a quantum phase transition between orbital-selective Mott states, with different localized orbitals, in a Hund's metals model. Using the density matrix renormalization group, the phase diagram is constructed varying the electronic…

Depositing monolayer graphene on a transition metal dichalcogenide (TMD) semiconductor substrate has been shown to change the dynamics of the electronic states in graphene, inducing spin orbit coupling (SOC) and staggered potential effects.…

Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), an experimental and theoretical study of changes in the electronic structure (dispersion dependencies) and corresponding modification of the energy…

Driving existing materials to exhibit topologically nontrivial state is of both scientific and technological interests. Using first-principle calculations, we propose the first demonstration of electron doping induced multiple quantum phase…

We study the quantum phase transition from an insulator to a metal realized at t'=t'_c > 0.5t in the ground state of the half-filled Hubbard chain with both nearest-neighbor (t) and next-nearest-neighbor (t') hopping. The study is carried…

Effects of spin-orbit coupling (SOC) on metal-Mott insulator transition (MMIT) and spin exchange physics (SEP) of two-component Fermi gases in two-dimension half-filling square optical lattices are investigated. In the frame of Kotliar and…

Half-metallic Heusler compounds are of significant interest for spintronics. For device fabrication, compounds that can be epitaxially grown on III-V semiconductors are particularly attractive. We present a first-principles investigation of…

We study the electronic and optical properties of strained single-layer SnC in the density functional theory (DFT) and tight-binding models. We extract the hopping parameters tight-binding Hamiltonian for monolayer SnC by considering the…

We study the phase transition between a trivial and a time-reversal-invariant topological superconductor in a single-band system. By analyzing the interplay of symmetry, topology and energetics, we show that for a generic normal state band…

Topological Insulators with gapless surface states and insulating bulk in non-centrosymmetric cubic systems have been extensively explored following the discovery of two-dimensional quantum spin hall effect in zincblende HgTe. In such…