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Using two pairs of lattice equations deduced from a microscopic dipole lattice model taking into account electronic polarization (EP) of ions and local field effects (LFEs) self-consistently, in-plane and out-of-plane optical vibrations in…

Mesoscale and Nanoscale Physics · Physics 2019-05-31 Jian-zhong Zhang

Transition metal dichalcogenides (TMDs) are an exciting family of 2D materials; a member of this family, MoS$_2$, became the first measured monolayer semiconductor. In this article, a generalized phenomenological continuum model for the…

Two-dimensional (2D) transition metal dichalcogenide (TMD) nanosheets exhibit remarkable electronic and optical properties. The 2D features, sizable bandgaps, and recent advances in the synthesis, characterization, and device fabrication of…

Materials Science · Physics 2015-02-04 Xin Zhang , Xiao-Fen Qiao , Wei Shi , Jiang-Bin Wu , De-Sheng Jiang , Ping-Heng Tan

With the recent production of polar molecules in the quantum regime, long-range dipolar interactions are expected to facilitate the understanding of strongly interacting many-body quantum systems and to realize lattice spin models for…

We develop a classical microscopic model of a dielectric. The model features nonlinear interaction terms between polarizable dipoles and lattice vibrations. The lattice vibrations are found to act as a pseudo-reservoir, giving broadband…

Optics · Physics 2016-07-20 R. J. Churchill , T. G. Philbin

The long-wavelength behavior of vibrational modes plays a central role in carrier transport, phonon-assisted optical properties, superconductivity, and thermomechanical and thermoelectric properties of materials. Here, we present general…

Mesoscale and Nanoscale Physics · Physics 2022-11-17 Changpeng Lin , Samuel Poncé , Nicola Marzari

Theoretical analysis dealing with the interaction of electrons with the polar long-wavelength transverse optical (TO) vibrations is presented. The theory is based on the model of a polar crystal with classical potentials, which takes into…

Materials Science · Physics 2010-09-10 Aleksandr Pishtshev

We consider long-wave phonon-polaritons and longitudinal optical phonons in alkali-halide ionic crystals. The model of point charges that are polarized in the self-consistent electromagnetic field in a dielectric environment is used. The…

Materials Science · Physics 2017-07-12 Anton Stupka

We have measured far infrared reflectance and transmittance spectra as well as Raman scattering spectra of \alpha'-NaV2O5 single crystals for all the principal polarizations. The temperature range above the phase transition temperature…

Strongly Correlated Electrons · Physics 2019-08-17 M. N. Popova , A. B. Sushkov , S. A. Golubchik , B. N. Mavrin , V. N. Denisov , B. Z. Malkin , A. I. Iskhakova , M. Isobe , Y. Ueda

We study the optical response of a 2D square lattice of atoms using classical electrodynamics. Due to dipole-dipole interactions, the lattice atoms polarize as if the lattice were an atom with up to three resonance frequencies, with…

Atomic Physics · Physics 2019-07-18 Juha Javanainen , Renuka Rajapakse

In this letter, we derive an expression for magnetic dipole transitions that is analogous to the Lyddane-Sachs-Teller relation for dielectric polar lattice vibrations. We thereby define transverse and longitudinal optical frequencies at…

Materials Science · Physics 2024-08-09 Viktor Rindert , Vanya Darakchieva , Tapati Sarkar , Mathias Schubert

In a linear magnetoelectric the lattice is coupled to electric and magnetic fields: both affect the longitudinal-transverse splitting of zone-center optical phonons on equal footing. A response matrix relates the macroscopic fields (D,B) to…

Materials Science · Physics 2011-02-01 Raffaele Resta

Mechanical and elastic properties of materials are among the most fundamental quantities for many engineering and industrial applications. Here, we present a formulation that is efficient and accurate for calculating the elastic and bending…

Materials Science · Physics 2026-03-23 Changpeng Lin , Samuel Poncé , Francesco Macheda , Francesco Mauri , Nicola Marzari

We propose a macroscopic theory of optical phonons, Fr{\"o}hlich polarons, and exciton-polarons in two-dimensional (2D) polar crystalline monolayers. Our theory extends the classical macroscopic formulation of the electron-phonon problem in…

Mesoscale and Nanoscale Physics · Physics 2025-03-05 V. Shahnazaryan , A. Kudlis , I. V. Tokatly

We investigate the nanoscale mechanisms determining lattice thermal conductivity (LTC) of pristine and W-doped MX$_2$-M$^\prime$X$^\prime_2$ transition metal dichalcogenide heterobilayers from first principles, using the exact solution of…

Materials Science · Physics 2026-04-29 Elliot Perviz , Antonio Cammarata

We propose a mechanism for liquid formation in strongly correlated lattice systems. The mechanism is based on an interplay between long-range attraction and superexchange processes. As an example, we study dipolar bosons in one-dimensional…

We determine the frequency dependence of the four independent Cartesian tensor elements of the dielectric function for monoclinic symmetry Y$_2$SiO$_5$ using generalized spectroscopic ellipsometry from 40-1200 cm$^{-1}$. Three different…

Materials Science · Physics 2018-04-25 A. Mock , R Korlacki , S. Knight , M. Schubert

Structural, vibrational, and lattice dielectric properties of CdCu{3}Ti{4}O{12} are studied using density-functional theory within the local spin-density approximation, and the results are compared with those computed previously for…

Materials Science · Physics 2009-11-07 Lixin He , J. B. Neaton , David Vanderbilt , Morrel H. Cohen

We report a simple safe and attractive pedagogic demonstration with magnetic compasses that facilitates an intuitive understanding of the concept that ferromagnetism and ferroelectricity do not result from dipole-dipole interactions alone.…

A novel method for the calculation of the energy dispersion relation (EDR) and density of states (DOS) in one (1D) and two (2D) dimensions is introduced and applied to linear lattices (1D) and square and hexagonal lattices (2D). The (van…

Other Condensed Matter · Physics 2015-07-20 F. Iachello , B. Dietz , M. Miski-Oglu , A. Richter
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