Related papers: Possible Lattice and Charge Order in CuxBi2Te2Se
Properties of many layered materials, including copper- and iron-based superconductors, topological insulators, graphite and epitaxial graphene can be manipulated by inclusion of different atomic and molecular species between the layers via…
The structural and electronic properties of $A$TiO$_3$ ($A$=Ca, Sr, Ba) have been investigated under strain-free situation and with realistic constraints using first-principles calculations. We endeavored to find out the interplay between…
The recent discoveries of short-range charge-density wave fluctuations in the normal state of several hole-doped cuprate superconductors constitute a significant addition to the known intrinsic properties of these materials. Besides likely…
We present a joint experimental and theoretical study of the superconducting phase of the layered binary silicide BaSi2. Compared with the layered AlB2 structure of graphite or diboride-like superconductors, in the hexagonal structure of…
The spatially uniform electronic density characteristic of a metal can become unstable at low temperatures, leading to the formation of charge density waves (CDWs). These CDWs, observed in dichalcogenides, cuprates, and pnictides arise from…
Interlayer coupling plays a critical role in van der Waals materials by governing lattice stability and emergent quantum phases, yet its impact on few-layer hexagonal CoTe$_2$ remains unclear. Here, using first-principles calculations, we…
Superlattices of correlated oxides have been used to explore interfacial effects and to achieve additional control over the physical properties of individual constituents. In this work, we present a first-principles perspective of the…
Interplay of superconductivity and density wave orders has been at the forefront of research of correlated electronic phases for a long time. 2H-NbSe$_2$ is considered to be a prototype system for studying this interplay, where the balance…
The work presented in my doctoral thesis is an experimental investigation of the nature of order to disorder transition of vortex lattice in a Type-II superconductor namely Co-intercalated 2H-NbSe2 using scanning tunnelling spectroscopy and…
The Verwey transition in magnetite (Fe3O4 ) is the prototypical metal-insulator transition and has eluded a comprehensive explanation for decades. A major element of the challenge is the complex interplay between charge order and lattice…
Electronic properties of super-atomic crystals have not been sufficiently explored due to the versatility of their building units; moreover, their inter-unit couplings are even poorly understood. Here, we present a joint experiment-theory…
TiSe2 has received much attention among the transition metals chalcogenides because of its thrilling physical properties concerning atypical resistivity behavior, emerging of charge density wave (CDW) state, induced superconductivity etc.…
The stacking configuration of two-dimensional materials critically governs their optical and electronic responses. Monolayer transition-metal dichalcogenides (TMDC) lack inversion symmetry and exhibit exciton-enhanced second-harmonic…
The anharmonicity of phonons in solid is ultimately rooted in the chemical bonding. However, the direct connection between phonon anharmoncity and chemical bonding is difficult to make experimentally or theoretically, due mainly to their…
Pressure tuning has emerged as a powerful strategy for manipulating the thermoelectric properties of materials by inducing structural and electronic modifications. Herein, we systematically investigate the transport properties and…
This study presents a first-principles study at the level of hybrid-level density functional theory of the sodium intercalation process in a layered potassium birnessite (a layered manganese dioxide, {\delta}-MnO2). Understanding the…
Competing ferroelectric and charge density wave phases have been proposed to be present in the electron-phonon coupled LaO$_{1-x}$F$_{x}$BiS$_{2}$ superconductor. The lattice instability arises from unstable phonon modes that can break the…
The extraordinary electronic and optical properties of the crystal-to-amorphous transition in phase-change materials led to important developments in memory applications. A promising outlook is offered by nanoscaling such phase-change…
The field of two-dimensional (2D) materials has expanded to multilayered systems where electronic, optical, and mechanical properties change-often dramatically-with stacking order, thickness, twist, and interlayer spacing [1-5]. For…
Intercalation has proven to be a powerful tool for tailoring the electronic properties of freestanding graphene layers as well as for stabilizing the intercalated material in a two-dimensional configuration. This work examines Si…