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We study ferromagnetic transition in three-dimensional double-exchange model containing impurities. The influence of both spin fluctuations and impurity potential on conduction electrons is described in coherent potential approximation. In…

By treating the electron-ion interaction as perturbation in the first-principles Hamiltonian, we have calculated the density response functions of a fluid alkali metal to find an interesting charge instability due to anomalous electronic…

We propose a method to probe the nature of phase transitions in lattice QCD at finite temperature and density, which is based on the investigation of an effective potential as a function of the average plaquette. We analyze data obtained in…

We predict a quantum phase transition in fcc Ca under hydrostatic pressure. Using density functional theory, we find at pressures below 80 kbar, the topology of the electron charge density is characterized by nearest neighbor atoms…

Due to structural incommensurability, the emergence of a quasicrystal from a crystalline phase represents a challenge to computational physics. Here the nucleation of quasicrystals is investigated by using an efficient computational method…

We rigorously analyze the quantum phase transition between a metallic and an insulating phase in (non solvable) interacting spin chains or one dimensional fermionic systems. In particular, we prove the persistence of Luttinger liquid…

Crystal structures of $\textrm{CLi}_4$ compounds are explored through \emph{ab} \emph{initio} evolutionary methodology. Phase transition from metal to semimetal and semiconductor, and eventually to insulator with increasing pressure are…

Solid-state lithium batteries possess numerous advantages, such as high energy density, excellent cycle stability, superior mechanical strength, non-flammability, enhanced safety, and extended service life. These characteristics make them…

We discuss the nature of the phase transition for lattice QCD at finite temperature and density. We propose a method to calculate the canonical partition function by fixing the total quark number introducing approximations allowed in the…

New interatomic potentials describing defects, plasticity and high temperature phase transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation temperature requires an efficient and accurate method to determine…

Lanthanum (La), the first member of the rare-earth elements, recently aroused strong interest due to its unique superhydride with superconducting properties. Although there is much theoretical and experimental work about phase transitions…

The simple cubic phase of a RbC60 thin film has been studied using photoelectron spectroscopy. The simple cubic-to-dimer transition is found to be reversible at the film surface. A sharp Fermi edge is observed and a lower limit of 0.5 eV is…

We show here that an extension of the Hamiltonian theory developed by us over the years furnishes a composite fermion (CF) description of the $\nu =\frac{1}{2}$ state that is particle-hole (PH) symmetric, has a charge density that obeys the…

Extensive atomistic simulations based on the quasiparticle (QA) approach are performed to determine the momentous aspects of the displacive fcc/bcc phase transformation in a binary system. We demonstrate that the QA is able to predict the…

Following the bichromatic sub-Doppler cooling scheme on the D1 line of 40K recently demonstrated in (Fernandes et al. 2012), we introduce a similar technique for 7Li atoms and obtain temperatures of 60 uK while capturing all of the 5x10^8…

We develop a Landau theory for bend flexoelectricity in liquid crystals of bent-core molecules. In the nematic phase of the model, the bend flexoelectric coefficient increases as we reduce the temperature toward the nematic to polar phase…

Lithium-ion batteries (LIBs) of high energy density and light-weight design, have found wide applications in electronic devices and systems. Degradation mechanisms that caused by lithiation is a main challenging problem for LIBs with high…

A potential phase transition between a normal ground state and a photon-condensed ground state in many-dipole light-matter systems is a topic of considerable controversy, exasperated by conflicting no-go and counter no-go theorems and often…

Recent experimental studies confirmed that a long searched conventional superconducting phase in graphene can be induced via lithium deposition. However, the canonical character of the lithium-decorated graphene (LiC$_{6}$) superconductor…

Colloidal crystals formed by size-asymmetric binary particles co-assemble into a wide variety of colloidal compounds with lattices akin to ionic crystals. Recently, a transition from a compound phase with a sublattice of small particles to…