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The interplay between interactions and topology in quantum materials is of extensive current interest. Strong correlations are known to be important for insulating topological states, as exemplified by the fractional quantum Hall effect.…
As a prototypical one-dimensional electron system, self-assembled indium (In) nanowires on the Si(111) surface have been believed to drive a metal-insulator transition by a charge-density-wave (CDW) formation due to electron-phonon…
Topological quantum phase transitions are characterised by changes in global topological invariants. These invariants classify many body systems beyond the conventional paradigm of local order parameters describing spontaneous symmetry…
Nonequlibrium phase transition of an open Takayama-Lin Liu-Maki chain coupled with two reservoirs is investigated by combining a mean-field approximation and a formula characterizing nonequlibrium steady states, which is obtained from the…
Soft-phonon modes of an undistorted phase encode a material's preference for symmetry lowering. However, the evidence is sparse for the relationship between an unstable phonon wavevector's reciprocal and the number of formula units in the…
The Peierls distortions in a two-dimensional electron-lattice system described by a Su-Schrieffer-Heeger type model extended to two-dimensions are numerically studied for a square lattice. The electronic band is just half-filled and the…
Recent experiments have shown the signatures of Majorana bound states at the ends of magnetic chains deposited on a superconducting substrate. Here, we employ first principles calculations to directly investigate the topological properties…
van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…
We review recent experimental progresses on layered topological materials, mainly focusing on transitional metal dichalcogenides with various lattice types including 1T, Td and 1T' structural phases. Their electronic quantum states are…
Two-dimensional non-interacting fermions without any anti-unitary symmetries generically get Anderson localized in the presence of disorder. In contrast, topological superconductors with their inherent particle-hole symmetry can host a…
We calculate the thermal conductivity (\k{appa}) of both bulk crystalline and single-chain polyethylene (PE) using the first-principles-based anharmonic lattice dynamics. Despite its low \k{appa} in amorphous state, the predicted bulk…
The exploration of topological phase transition (TPT) mechanisms constitutes a central theme in quantum materials research. Conventionally, transitions between Weyl semimetals (WSMs) and other topological states rely on the breaking of…
Large scale two-dimensional (2D) moir\'e superlattices are driving a revolution in designer quantum materials. The electronic interactions in these superlattices, strongly dependent on the periodicity and symmetry of the moir\'e pattern,…
One of the most significant breakthroughs in physics of the last decade has been the discovery that materials with non-trivial topological properties for electronic, electromagnetic, acoustic and mechanical responses can be designed and…
Quasi-one-dimensional (1D) materials provide a superior platform for characterizing and tuning topological phases for two reasons: i) existence for multiple cleavable surfaces that enables better experimental identification of topological…
Peierls-type instabilities in quarter-filled ($\bar{n}=1/2$) and half-filled ($\bar{n}=1$) quantum double-well hydrogen-bonded chain are investigated analytically in the framework of two-stage orientational-tunnelling model with additional…
A method for the study of the electronic transport in strongly coupled electron-phonon systems is formalized and applied to a model of polyyne chains biased through metallic Au leads. We derive a stationary non equilibrium polaronic theory…
The metal-insulator transition observed in the In/Si(111)-4x1 reconstruction is studied by means of ab initio calculations of a simplified model of the surface. Different surface bands are identified and classified according to their origin…
We study \textit{ab initio} a pyrochlore compound, CsW$_{2}$O$_{6}$, which exhibits a yet unexplained metal-insulator transition. We find that (1) the reported low-$T$ structure is likely inaccurate and the correct structure has a twice…
Topological materials exhibit protected edge modes that have been proposed for applications in for example spintronics and quantum computation. While a number of such systems exist, it would be desirable to be able to test theoretical…