相关论文: Theoretical study on RbCl crystal with M\"{o}bius …
Scattering phase shifts obtained from 87Rb Bose-gas collision experiments are used to reconstruct effective potentials resulting, self-consistently, in the same scattering events observed in the experiments at a particular energy. We have…
Inverse melting, in which a crystal reversibly transforms into a liquid or amorphous phase upon decreasing the temperature, is considered to be very rare in nature. The search for such an unusual equilibrium phenomenon is often hampered by…
We compare the behavior of a new two-dimensional aqueous colloidal model system with a simple numerical treatment. To the first order the attractive interaction between the colloids induced by an in-plane rotating ac electric field is…
We present our first results on a direct computation of the complex in-medium heavy quark potential from realistic lattice QCD simulations. Ensembles with $N_\tau=12$ from the HotQCD and TUMQCD collaboration offer unprecedented high…
The interfacial free energy is a central quantity in crystallization from the meta-stable melt. In suspensions of charged colloidal spheres, nucleation and growth kinetics can be accurately measured from optical experiments. In previous…
We use first-principles techniques to re-examine the suggestion that transitions seen in high-P experiments on Mo are solid-solid transitions from the bcc structure to either the fcc or hcp structures. We confirm that in the harmonic…
The metal-insulator transition (MIT) in rare-earth nickelates exemplifies the intricate interplay between electronic correlations and lattice dynamics in quantum materials. This work focuses on SmNiO$_3$ as a prototypical system, employing…
This paper presents a broad theoretical and simulation study of the high temperature behavior of crystalline alkali halide surfaces typified by NaCl(100), of the liquid NaCl surface near freezing, and of the very unusual partial wetting of…
Single crystals of In-doped PbBi2Te4 are synthesized via a conventional solid-state method. Chemical analysis and hall measurements indicate that In replaces Pb, introducing n-type carriers, creating Pb1-xInxBi2Te4. A superconducting…
Off-stoichiometric Ni$_2$MnIn Heusler alloys have drawn recent attention due to their large magnetocaloric entropy change associated with the first-order magneto-structural transition. Here we present crystal structural, calorimetric and…
We report diffusion Monte Carlo (DMC) calculations on MgO in the rock-salt and CsCl structures. The calculations are based on Hartree-Fock pseudopotentials, with the single-particle orbitals entering the correlated wave function being…
The high-pressure phase transitions of B1-structured stoichiometric transition metal carbides (TMCs, TM=Ti, Zr, Hf, V, Nb, and Ta) were systematically investigated using ab initio calculations. These carbides underwent universal phase…
A new type of heavy transition metal carbide (TMC), Ru2C with a space group of p3 - m1(164) was synthesized experimentally at high pressurehigh temperature [J Phys. Condens. Matter. 2012 Sep 12; 24(36): 362202.] and it was consequently…
We present a methodology based on the N\'{e}el model to build a classical spin-lattice Hamiltonian for cubic crystals capable of describing magnetic properties induced by the spin-orbit coupling like magnetocrystalline anisotropy and…
We use the Kotliar-Ruckenstein slave boson technique to treat the strong correlation of the Hubbard model. In a first part we discuss the metal to insulator transition that is occurring on the honeycomb lattice at half filling. We find the…
In a previous work a model was proposed for the phase transitions of crystals with localized magnetic moments which at low temperature have a "conical" arrangement that at higher T transforms into a more symmetrical structure (depending on…
Recent experiments with ultracold fermionic atoms in optical lattices have provided a tuneable and clean realization of the attractive Hubbard model (AHM). In view of this, several physical properties may be thoroughly studied across the…
We synthesized single crystalline and policrystalline MgB_2 under ambient pressures. The single crystals of MgB_2 were of good quality, where the crystal structure refinements were successfully converged with R = 0.020. The specific heat of…
Distinct discontinuities in the thermal expansion of the crystal lattice are observed at the melting-transition of the vortex lattice in a naturally untwinned reversible YBa2Cu3O7-d-single crystal using high-resolution dilatometry. This…
Materials underpin modern technologies, from energy harvesting, storage, and conversion to information and communication technologies. Their functionality is often governed by the interplay between competing phases, as thermodynamic…