Related papers: Theoretical Study of Pressure Effect on TDAE-C60
The effect of tensile stress applied during cooling of binary glasses on the potential energy states and mechanical properties is investigated using molecular dynamics simulations. We study the three-dimensional binary mixture that was…
When exploring new magnetic materials, the effect of alloying plays a crucial role for numerous properties. By altering the alloy composition, it is possible to tailor, e.g., the Curie temperature ($T_\text{C}$). In this work, $T_\text{C}$…
When an ordered spin system of a given dimensionality undergoes a second order phase transition the dependence of the order parameter i.e. magnetization on temperature can be well-described by thermal excitations of elementary collective…
The spin Seebeck effect (SSE) is a phenomenon of thermoelectric generation that occurs within a device consisting of a bilayer of a metal and a ferromagnet. When Tb$_3$Fe$_5$O$_{12}$ (TbIG) is substituted for the ferromagnet, the effect…
This study investigates the effect of the ion-to-electron temperature ratio ($T_i/T_e$) on microturbulence driven transport in Quiescent H-mode (QH-mode) plasmas in the DIII-D tokamak. Utilizing the Gyrokinetic Toroidal Code (GTC) and the…
In contrast to ordinary ferroelectrics where the temperature, Tm, of the permittivity maximum monotonically increases with bias field, E, in (1-x)PbMg1/3Nb2/3O3-(x)PbTiO3 (0<x<0.35) single crystals, Tm was found to remain constant or…
We have studied the ground state of a fullerene--based magnet, the $\alpha'$--phase tetra--$kis$--(dimethylamino)--ethylene--C$_{60}$ ($\alpha'$--TDAE--C$_{60}$), by electron spin resonance (ESR) and magnetic torque measurements. Below…
Recently, the pressure has been used as external stimuli to induce structural and magnetic phase transitions in many layered quantum materials whose layers are linked by van der Waals forces. Such materials with weakly held layers allow…
In this paper, the Curie temperature of ferroelectric films is studied using spin-1/2 transverse Ising model with long-range interaction within the framework of the effective-field theory. The dependence of the Curie temperature on the…
We investigate the in-plane oscillations of the relaxed shape graphene due to externally applied tensile edge stress along both the armchair and zigzag directions. We show that the total elastic energy density is enhanced with temperature…
Investigating the thermoelectric properties of ferromagnets is important for the development of future microelectronic devices for efficient energy conversion purposes. Ferromagnetic Mn$_5$Ge$_3$C$_x$ thin films with a Curie temperature up…
We employ an atomistic model using a nearest-neighbor Heisenberg Hamiltonian exchange to study computationally the dependence of the Curie temperature of L10-FePt on finite-size and surface effects in Heat-assisted Magnetic Recording (HAMR)…
A simple model based on atom-atom potential has been used to calculate various bulk, structural and thermodynamic properties of pure C_{60} solid by including implicit anharmonicity. The pressure and temperature dependent properties such as…
Monoclinic Y$_{0.7}$Er$_{0.3}$Fe$_2$D$_{4.2}$ compound exhibits unusual magnetic properties with different field induced magnetic transitions. The deuteride is ferrimagnetic at low temperature and the Er and Fe sublattices present magnetic…
We study the surface tension of hot, highly magnetized three flavor quark matter droplets, focusing specifically on the thermodynamic conditions prevailing in neutron stars, hot lepton rich protoneutron stars and neutron star mergers. We…
We investigate the in-medium modification and dissociation of heavy quarkonium in a hot QCD medium at finite quark chemical potential and in the weak magnetic-field regime. Starting from the one-loop resummed gluon propagator in the…
The electrical resistivity, crystalline structure and electronic properties calculated from the experimentally measured atomic positions of the compound SmFeAsO$_{0.81}$F$_{0.19}$ have been studied up to pressures ~20GPa. The correlation…
Atomic-scale computational modeling of technologically relevant permanent magnetic materials faces two key challenges. First, a material's magnetic properties depend sensitively on temperature, so the calculations must account for thermally…
Thermal properties of graphene display peculiar characteristics associated to the two-dimensional nature of this crystalline membrane. These properties can be changed and tuned in the presence of applied stresses, both tensile and…
We develop a technique for predicting the Curie temperature of magnetic materials using density functional theory calculations suitable to include in high-throughput frameworks. We apply four different models, including physically relevant…