output
19972026
most citedA fractionally ionic approach to polarizability and van der Waals many-body dispersion calculations

128 citations

Showing cond-mat.mtrl-sciShow all

8 papers · 1 filter

cond-mat.mtrl-sci2026★ 2 cited

Prediction of coherent interfaces between diamond and clathrate structures

Eva Pospíšilová, Marek Mihalkovič

Diamond (or its binary zincblende variant)-type structure can form coherent interface with clathrate type II via the common transitional layer known previously as a -d…

cond-mat.mtrl-sci2022★ 11 cited

Reflection-enhanced gain in traveling-wave parametric amplifiers

S. Kern, P. Neilinger, E. Iľichev +12

The operating principle of traveling-wave parametric amplifiers is typically understood in terms of the standard coupled mode theory, which describes the evolution of forward propa…

cond-mat.mtrl-sci2020★ 2 cited

A numerical extrapolation method for complex conductivity of disordered metals

S. Kern, P. Neilinger, D. Manca +3

Recently, quantum corrections to optical conductivity of disordered metals up to the UV region were observed. Although this increase of conductivity with frequency, also called ant…

cond-mat.mtrl-sci2020★ 13 cited

Computational study of antiferromagnetic and mixed-valent diamagnetic phase of AgF2: crystal, electronic and phonon structure and p-T phase diagram

Kamil Tokar, Mariana Derzsi, Wojciech Grochala

Crystal and electronic structure, lattice dynamics and thermodynamic stability of little known mixed valent diamagnetic AgIAgIIIF4 beta form of AgF2 is thoroughly examined for the…

cond-mat.mtrl-sci2019★ 18 cited

Bridging molecular dynamics and correlated wave-function methods for accurate finite-temperature properties

Dario Rocca, Anant Dixit, Michael Badawi +3

We introduce the "selPT" perturbative approach, based on ab initio molecular dynamics (AIMD), for computing accurate finite-temperature properties by efficiently using correlated w…

cond-mat.mtrl-sci2014★ 26 cited

Electronic structure and energy level schemes of RE3+:LaSi3N5 and RE2+:LaSi3N5-xOx phosphors (RE= Ce, Pr, Nd, Pm, Sm, Eu) from first principles

Ismail A. M. Ibrahim, Zoltan Lences, Pavol Sajgalik +2

First principles calculations of rare earth (RE)-doped LaSi3N5 host lattice are performed to obtain the electronic structure, the band gap (BG), and the character of electronic tra…

cond-mat.mtrl-sci2013★ 2 cited

Magnetic and transport parameters of LSMO and YBCO/LSMO films deposited on sapphire substrates

Blagoy S. Blagoev, Timerfayaz K. Nurgaliev, Vladimír Štrbik +2

The La0.7Sr0.3MnO3 (LSMO) layers and YBa2Cu3O7-δ/La0.7Sr0.3MnO3 (YBCO/LSMO) bilayers were grown by magnetron sputtering on sapphire (Al2O3 or ALO) substrates. Temperature dependenc…

cond-mat.mtrl-sci2008★ 7 cited

Penrose Matching Rules from Realistic Potentials in a Model System

Sejoon Lim, M. Mihalkovic, C. L. Henley

We exhibit a toy model of a binary decagonal Al-Co quasicrystal -- closely related to actual structures -- in which realistic pair potentials yield a ground state which appears to…