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We computed spin wave dispersions of surface-reconstructed Co films on the W(110) surface in the adiabatic approximation. The magnetic exchange interactions are obtained via first-principles electronic structure calculations using the…

Mesoscale and Nanoscale Physics · Physics 2017-04-11 Flaviano José dos Santos , Manuel dos Santos Dias , Samir Lounis

An approach to compute exchange parameters of the Heisenberg model in plane-wave-based methods is presented. This calculation scheme is based on the Green's function method and Wannier function projection technique. It was implemented in…

Strongly Correlated Electrons · Physics 2015-06-09 Dm. M. Korotin , V. V. Mazurenko , V. I. Anisimov , S. V. Streltsov

The phase diagram of a quantum paraelectric antiferromagnet EuTiO3 under an external electric field was calculated using Landau-Ginzburg-Devonshire theory. It was shown that the application of an external electric field E leads to the…

The influence of a chemically or electrically heterogeneous distribution of interaction sites at a planar substrate on the number density of an adjacent fluid is studied by means of classical density functional theory (DFT). In the case of…

Soft Condensed Matter · Physics 2018-05-25 Maximilian Mußotter , Markus Bier , S. Dietrich

Thin PbTe films (thickness 500 - 600 angstrom), deposited on SrTiO3, have been investigated by electric field effect (EFE). The high resistivity of such thin films warrants a high sensitivity of the EFE method. The SrTiO3 substrate serves…

Other Condensed Matter · Physics 2015-06-25 A. V. Butenko , R. Kahatabi , V. Sandomirsky , Y. Schlesinger , A. Yu. Sipatov , V. V. Volubuev

The Green function method developed in Ref.[S. B. Chernyshuk and B. I. Lev, Phys. Rev. E \textbf{81}, 041707 (2010)] is used to describe elastic interactions between axially symmetric colloidal particles in the nematic cell in the presence…

Soft Condensed Matter · Physics 2015-05-30 S. B. Chernyshuk , O. M. Tovkach , B. I. Lev

We theoretically study saturation effects induced by an external static electric field on photoassociation (PA) of a heteronuclear atom pair. A static electric field influences scattering wave-function of two heteronuclear atoms as…

Atomic Physics · Physics 2012-06-06 Debashree Chakraborty , Bimalendu Deb

We show, theoretically, that the phase of the interlayer exchange coupling (IEC) undergoes a topological change of approximately $2\pi$ as the chemical potential of the ferromagnetic (FM) lead moves across a hybridization gap (HG). The…

Mesoscale and Nanoscale Physics · Physics 2017-09-28 A. Umerski

The Curie temperature is one of the most fundamental physical properties of ferromagnetic materials and can be described by Weiss molecular field theory with the exchange interaction of neighboring atoms. Recently, the…

Mesoscale and Nanoscale Physics · Physics 2018-07-04 Fuyuki Ando , Kihiro T. Yamada , Tomohiro Koyama , Mio Ishibashi , Yoichi Shiota , Takahiro Moriyama , Daichi Chiba , Teruo Ono

Dynamical mean-field theory computations of the electron self energy of the Hubbard-Holstein model as a function of electron-phonon and electron-electron interactions are analyzed to gain insight into the dependence of electron-phonon…

Strongly Correlated Electrons · Physics 2025-05-14 Jennifer Coulter , Andrew J. Millis

We investigate the impact of mechanical strain, stacking order, and external electric fields on the magnetic interactions of a two-dimensional (2D) van der Waals (vdW) heterostructure in which a 2D ferromagnetic metallic Fe$_3$GeTe$_2$…

Materials Science · Physics 2023-03-30 Dongzhe Li , Soumyajyoti Haldar , Tim Drevelow , Stefan Heinze

Electronic structure and magnetic properties for iron-selenide KFe$_2$Se$_2$ are studied by first-principles calculations. The ground state is stripe-like antiferromagnetic with calculated 2.26 $\mu_B$ magnetic moment on Fe atoms; and the…

Superconductivity · Physics 2015-05-20 Chao Cao , Jianhui Dai

Using Density functional theory and non-equilibrium Green's function formalism, spin dependent electron transport in Fe/Mo$_x$Cr$_{1-x}$S$_2$/Fe magnetic tunnel junction is studied. Spin transport for different thicknesses (1, 3, 5, and 7…

Materials Science · Physics 2026-01-06 Aloka Ranjan Sahoo , Sharat Chandra

We present detailed investigations of the magnetic properties of an Fe monolayer on W and Ta (110) surfaces based on the ab initio screened Korringa-Kohn-Rostoker method. By calculating tensorial exchange coupling coefficients, the ground…

Strongly Correlated Electrons · Physics 2015-05-01 Levente Rózsa , László Udvardi , László Szunyogh , István A. Szabó

High-$T_c$ superconductors are usually described as strongly correlated electronic systems. This feature deeply affects the one-particle and two-particle properties of the system. In particular, a large incoherent background developes on…

Superconductivity · Physics 2009-10-31 L. Boeri , E. Cappelluti , C. Grimaldi , L. Pietronero

We study the role of static and dynamical Coulomb correlation effects on the electronic and magnetic properties of individual Mn, Fe and Co adatoms deposited on the CuN surface. For these purposes, we construct a realistic Anderson model,…

Strongly Correlated Electrons · Physics 2015-06-15 V. V. Mazurenko , S. N. Iskakov , A. N. Rudenko , I. V. Kashin , O. M. Sotnikov , M. V. Valentyuk , A. I. Lichtenstein

We present results of density-functional calculations on the magnetic properties of Cr, Mn, Fe and Co nano-clusters (1 to 9 atoms large) supported on Cu(001) and Cu(111). The inter-atomic exchange coupling is found to depend on competing…

Materials Science · Physics 2015-05-14 Phivos Mavropoulos , Samir Lounis , Stefan Blügel

It is well known that lipid membranes respond to a threshold transmembrane electric field through a reversible mechanism called electroporation, where hydrophilic water pores form across the membrane, an effect widely used in biological…

Soft Condensed Matter · Physics 2023-04-17 Di Jin , Yu Zhang , Jacob Klein

We investigate - both experimentally and theoretically - the inelastic interaction between fast electrons and the electromagnetic field scattered by metallic apertures and nanostructures on dielectric membranes using photon induced…

The ground state energy is great importance for studying the properties of a material. In this study, we computed both the Hartree-Fock approximation and the random phase approximation of the ground state energy. Considering the effect of…

Materials Science · Physics 2023-04-05 Maolin Bo , Hanze Li , Zhihong Wang , Yunqian Zhong , Yao Chuang , ZhongKai Huang