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Multireference density functional theory (MR-DFT) has been a pivotal method for studying nuclear low-lying states and neutrinoless double-beta ($0\nu\beta\beta$) decay. However, quantifying their theoretical uncertainties has been a…
The high-temperature limit of the superconformal index, especially on higher sheets, often captures useful universal information about a theory. In 4d $\mathcal{N}=2$ superconformal field theories with fractional r-charges, there exists a…
To capture various experimental results in the pseudogap regime of the underdoped cuprate superconductors for temperature $T<T^{*}$, we propose a four-component pair density wave (PDW) state, in which all components compete with each other.…
In traditional finite-temperature Kohn-Sham density functional theory (KSDFT), the well-known orbitals wall restricts the use of first-principles molecular dynamics methods at extremely high temperatures. However, stochastic density…
In this thesis we study the strongly-correlated-electron physics of the longstanding H-Tc-superconductivity problem using a non-perturbative method, the Dynamical Mean Field Theory (DMFT), capable to go beyond standard perturbation-theory…
An general survey of the superconducting (SC) gap study in the title compounds by point-contact (PC) spectroscopy is presented. The SC gap was determined from dV/dI of PCs employing the well-known theory of conductivity for normal…
In this thesis, the AdS/CFT correspondence is used as a tool to explore novel AdS$_5$ Supergravity backgrounds (containing five-dimensional Anti-de Sitter spacetime) and their dual (four dimensional) Conformal Field Theory descriptions. In…
Multi-band effects in hybrid structures provide a rich playground for unconventional superconductivity. We combine two complementary approaches based on density-functional theory (DFT) and effective low-energy model theory in order to…
We extend the two leading methods for the \emph{ab initio} computational descrip tion of phonon-mediated superconductors, namely Eliashberg theory and density fu nctional theory for superconductors (SCDFT), to include plasmonic effects.…
We have investigated a holographic model of a multi-layered superconductor in (2+1)-dimensions using the AdS/CFT correspondence. This correspondence allows us to study strongly interacting condensed matter systems through a weakly…
The first-order transition at $T_{\rm 0} = 270$ K for the platinum-based SrPt$_2$Sb$_2$ superconductor was investigated using X-ray diffraction and magnetic susceptibility measurements. When polycrystalline SrPt$_2$Sb$_2$ was cooled down…
Due to the resource criticality of rare-earths (RE), an alternative to the well-known Nd$_2$Fe$_{14}$B magnets with a lower amount of critical elements is required. In this work, density functional theory (DFT) calculations to investigate…
The stability of high-pressure phases of P has been studied using density functional theory and the local density approximation. Using a linear response technique, we have calculated the phonon spectrum and electron-phonon interaction for…
Density functional theory (DFT) has long struggled to treat light rare-earth magnetism. We show that this difficulty arises from an overestimate of the $4f$ charge asphericity, and thus the magnetic anisotropy energy, due to the inadequacy…
We present a systematic investigation of superconductivity in a topological superconductor candidate $T_{\rm d}$-MoTe$_2$ in the few-layer limit. By examining multiple mechanically exfoliated samples with different thicknesses, substrates…
In Refs. [1,2] we have shown how a combination of modern linear-scaling DFT, together with a subsequent use of large, effective tight-binding Hamiltonians, allows to compute multifractal wave functions yielding the critical properties of…
The development of analytic-gradient methodology for excited states within conventional time-dependent density-functional theory (TDDFT) would seem to offer a relatively inexpensive alternative to better established quantum-chemical…
Electronic Raman scattering with in and out of (ab) plane polarizations have been performed on HgBa2Ca2Cu3O8+d in a slightly underdoped single crystal with a critical temperature Tc=122 K. We find that the d-wave pairing gap at the…
A study of the temperature and field dependence of the penetration depth \lambda of the superconductor RbFe_2As_2 (T_c=2.52 K) was carried out by means of muon-spin rotation measurements. In addition to the zero temperature value of the…
Case studies of $1T$-TiSe$_2$ and YBa$_2$Cu$_3$O$_{7-\delta}$ have demonstrated that x-ray diffraction (XRD) studies can be used to trace even subtle structural phase transitions which are inherently connected with the onset of…