Related papers: Ab Initio Study of the Structural Phase Transition…
We study the low-temperature properties of the classical three-dimensional compass or $t_{2g}$ orbital model on simple-cubic lattices by means of comprehensive large-scale Monte Carlo simulations. Our numerical results give evidence for a…
We show that the main features of the cuprates superconductors phase diagram can be derived considering the disorder as a key property of these materials. Our basic point is that the high pseudogap line is an onset of phase separation which…
We study finite-temperature phase transitions in a two-dimensional boson Hubbard model with zero-point quantum fluctuations via Monte Carlo simulations of quantum rotor model, and construct the corresponding phase diagram. Compressibility…
The phase transitions at finite temperatures in the systems described by the Bose-Fermi-Hubbard model are investigated in this work in the framework of the selfconsistent random phase approximation. The case of the hard-core bosons is…
We present an \textit{ab initio} auxiliary field quantum Monte Carlo method for studying the electronic structure of molecules, solids, and model Hamiltonians at finite temperature. The algorithm marries the \textit{ab initio} phaseless…
Experimental nuclear level densities at excitation energies below the neutron threshold follow closely a constant-temperature shape. This dependence is unexpected and poorly understood. In this work, a fundamental explanation of the…
Point defects play a key role in determining semiconductor properties, such as electrical conductivity and photoluminescence, and often enable functional behavior. Accurate first-principles supercell simulations of point defects require…
Temperature dependent crystal structures of the quasi-one-dimensional ladder material BaFe2Se3 are examined. Combining the optical second harmonic generation (SHG) experiments and neutron diffraction measurements, we elucidate the crystal…
We explore the role of phase fluctuations in a 3-dimensional s-wave superconductor, NbN, as we approach the critical disorder for the destruction of the superconducting state. Scanning tunneling spectroscopy measurements reveal that in the…
We report an unusual evolution of superconductivity (SC) in the three-dimensional Dirac semimetal PdTe with increasing pressure up to $\sim$50 GPa. The compressed PdTe exhibits a sudden reversal in the superconducting transition temperature…
Tailoring the degree of structural disorder in Ge-Sb-Te alloys is important for the development of non-volatile phase-change memory and neuro-inspired computing. Upon crystallization from the amorphous phase, these alloys form a cubic…
The phase diagram of the filled skutterudite CeOs$_4$Sb$_{12}$ has been mapped in fields $H$ of up to 60 T and temperatures $T$ down to 0.5 K using resistivity, magnetostriction, and MHz conductivity. The valence transition separating the…
Measurements of the Hall coefficient in La$_{2-x}$Sr$_x$CuO$_4$, ranging from the undoped ($x = p = 0$) Mott insulator to overdoped compounds, exhibit a temperature dependence that offers insights into their electronic structure. We…
We present a study of phase transition to macroscopic superfluidity for an ultracold bosonic gas confined in a combined trap formed by a one-dimensional optical lattice and a harmonic potential, focusing on the critical temperature of this…
The effect of pressure on the low-temperature states of the Re3Ge7 is investigated by both electrical and Hall resistance and magnetization measurements. At ambient pressure, the temperature dependent resistance of Re3Ge7 behaves…
We consider the Euclidean $D$-dimensional $-\lambda |\phi |^4+\eta |\phi |^6$ ($\lambda ,\eta >0 $) model with $d$ ($d\leq D$) compactified dimensions. Introducing temperature by means of the Ginzburg--Landau prescription in the mass term…
Recent experiments have shown that the superconducting energy gap in some cuprates is spatially inhomogeneous. Motivated by these experiments, and using exact diagonalization of a model d-wave Hamiltonian, combined with Monte Carlo…
We calculate explicitly the variation $\delta T_c$ of the Bose-Einstein condensation temperature $T_c$ induced by weak repulsive two-body interactions to leading order in the interaction strength. As shown earlier by general arguments,…
Layered 1$T$-TiSe$_{2}$ has attracted much interest for the competition of charge density wave (CDW) and superconductivity in its bulk and even monolayer forms. Here we perform first-principles calculations of the electronic structure,…
Conventional barocaloric materials typically exhibit limited operating temperature ranges. In contrast, KPF$_6$ has recently been reported to achieve an exceptional all-temperature barocaloric effect (BCE) via pressure-driven phase…