相关论文: Bonding states underpinning structural transitions…
Three-dimensional (3D) electronic band structure is fundamental for understanding a vast diversity of physical phenomena in solid-state systems, including topological phases, interlayer interactions in van der Waals materials,…
We study a Ginzburg-Landau model of structural phase transition in two dimensions, in which a single order parameter is coupled to the tetragonal and dilational strains. Such elastic coupling terms in the free energy much affect the phase…
Assembling transition metal dichalcogenides (TMDCs) at the two-dimensional (2D) limit is a promising approach for tailoring emerging states of matter such as superconductivity or charge density waves (CDWs). Single-layer (SL) VSe$_2$ stands…
Different scenarios of the fluctuation-induced disordering of the striped phase which is formed at low temperatures in the triangular-lattice Ising model with the antiferromagnetic interaction of nearest and next-to-nearest neighbors are…
Ab initio investigations of structural, electronic, and dynamical properties of the high-temperature $\beta$ phase of copper pyrophosphate were performed using density functional theory. The electronic band structure shows the Mott…
Diverse emergent correlated electron phenomena have been observed in twisted graphene layers due to electronic interactions with the moir\'e superlattice potential. Many electronic structure predictions have been reported exploring this new…
Topological phase transitions involving crystalline symmetry breaking provide a fertile ground to explore the interplay between symmetry, topology, and emergent quantum phenomena. Recently discovered quasi-one-dimensional topological…
The low-temperature crystal structure of Fe1.13Te, which exhibits an anomalous two-step magnetic transition, was clarified by the systematic x-ray diffraction measurements. It was found that two-step structural phase transition,…
Single crystalline bismuth (Bi) is known to have a peculiar electronic structure which is very close to the topological phase transition. The modification of the surface states of Bi depending on the temperature are revealed by…
We utilize few-level model systems to analyze the polarization and phase properties of below-threshold harmonics generated from aligned molecules. In a two-level system, we find that the phase of emitted harmonics undergoes a distinct…
We investigate the ground-state properties of the periodic Anderson model on the square lattice across various band fillings. Employing the infinite projected entangled-pair states (iPEPS) technique, we can determine the magnetic ground…
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…
The parent phases of the Fe-arsenide superconductors harbor an antiferromagnetic ground state. Significantly, the N\'eel transition is either preceded or accompanied by a structural transition that breaks the four fold symmetry of the…
We investigate the phases and phase-transitions in one-dimensional alternating mixed-spin (1/2-1) chain in the presence of both frustration and anisotropy. Frustration is introduced via next-nearest-neighbor interactions, while single-ion…
In materials that undergo martensitic phase transformation, macroscopic loading often leads to the creation and/or rearrangement of elastic domains. This paper considers an example {involving} a single-crystal slab made from two martensite…
This study explores the pressure evolution of the double perovskite Ba$_2$NiTeO$_6$ by employing experimental and computational techniques. For the study of structural and vibrational properties, synchrotron X-ray diffraction (XRD) and…
In spin crossover materials, an abrupt phase transition between a low spin state and a high spin state can be driven by temperature, pressure or by light irradiation. Of a special relevance are Fe(II) based coordination polymers where, in…
Binary mixtures are known to phase separate via both nucleation and spinodal decomposition, depending on the initial composition and extent of the quench. Here we develop an energy landscape view of phase separation and non-ideality in…
A distinct electronic structure was observed in the single-layer FeSe which shows surprising high temperature superconductivity over 65k. Here we demonstrate that the electronic structure can be explained by the strain effect due to…
A wide variety of experimental results and theoretical investigations in recent years have convincingly demonstrated that several transition metal oxides and other materials, have dominant states that are not spatially homogeneous. This…