相关论文: "Extraordinary" Phase Transition Revealed in a van…
Two-dimensional materials offer a unique range of magnetic, electronic and mechanical properties which can be controlled by external stimuli. Pressure is a particularly important stimulus, as it can be achieved readily and can produce large…
In material systems with slab geometry, the surface contribution to physical responses is commonly expected to diminish rapidly with increasing thickness, giving way to the bulk response. Here, we show that this conventional wisdom is…
Van der Waals heterostructures have recently emerged as an exciting platform for investigating the effects of strong electronic correlations, including various forms of magnetic or electrical orders. Here, we perform an unbiased exact…
van der Waals (vdW) layered transition-metal chalcogenides are attracting significant attention owing to their fascinating physical properties. This group of materials consists of abundant members with various elements, having a variety of…
Chemically ordered B2 FeRh exhibits a remarkable antiferromagnetic-ferromagnetic phase transition that is first order. It thus shows phase coexistence, usually by proceeding though nucleation at random defect sites followed by propagation…
We study the S=1/2 Heisenberg antiferromagnet on a square lattice with nearest-neighbor and plaquette four-spin exchanges (introduced by A.W. Sandvik, Phys. Rev. Lett. {\bf 98}, 227202 (2007).) This model undergoes a quantum phase…
We investigate the lattice and electronic structures of the bulk and surface of the prototypical layered topological insulators Bi$_2$Se$_3$ and Bi$_2$Te$_3$ using ab initio density functional methods, and systematically compare the results…
Interlayer magnetic interactions play a pivotal role in determining the magnetic arrangement within van der Waals (vdW) magnets, and the remarkable tunability of these interactions through applied pressure further enhances their…
Proper inclusion of van der Waals (vdW) interactions in theoretical simulations based on standard density functional theory (DFT) is crucial to describe the physics and chemistry of systems such as organic and layered materials. Many…
Dirac semimetals have attracted a great deal of current interest due to their potential applications in topological quantum computing, low-energy electronic applications, and single photon detection in the microwave frequency range. Herein…
We present an extensive but concise review of our present understanding, largely based on theory and simulation work from our group, on the equilibrium behavior of solid surfaces and nanosystems close to the bulk melting point. In the first…
A thermodynamic theory based on Landau grand potential expansion for ferromagnetic-paramagnetic phase transitions is developed for an electronic phase-separated state. It is rigorously shown that ferromagnetic phase involved in the…
The charge density wave (CDW) state in van der Waals systems shows interesting scaling phenomena as the number of layers can significantly affect the CDW transition temperature, $T_{CDW}$. However, it is often difficult to use conventional…
Electronic properties of crystals can be manipulated using spatially periodic modulations. Long-wavelength, incommensurate modulations are of particular interest, exemplified recently by moir\'e patterned van der Waals (vdW)…
2D magnetic materials have attracted extensive research interest due to their potential application in nanospintronics, optospintronics, and in magnonics. Ferromagnetic as well as antiferromagnetic layered materials have been demonstrated…
We perform a microscopic study of itinerant ferromagnetic systems. We reveal a very rich phase diagram in the three-dimensional space spanned by the chemical potential, a magnetic field, and temperature beyond the Landau theory analyzed so…
Collective phenomena in solids can be sensitive to the dimensionality of the system; a case of special interest is VSe2, which shows a (r7 x r3) charge density wave (CDW) in the single layer with the three-fold symmetry in the normal phase…
The van der Waals magnetic semiconductor CrSBr combines multistable magnetic order with strong light--matter coupling, enabling optical access to a rich and reconfigurable layered magnetic domain structure. A purely optical,…
We discuss the problem of competition between a superconducting (SC) ordered state with a charge density wave (CDW) state in stripe phases of high $T_c$ superconductors. We consider an effective model for each stripe motivated by studies of…
Charge density waves (CDWs) appear in numerous condensed matter platforms, ranging from high-Tc superconductors to quantum Hall systems. Despite such ubiquity, there has been a lack of direct experimental study on boundary states that can…