Elastic properties of rare earth pyrochlores R2Ti2O7 (R = Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu): Ab initio calculations

Research output: Contribution to journalArticleResearchpeer-review

2 Citations (Scopus)
Original languageEnglish
Pages (from-to)565-570
Number of pages6
JournalOptical Materials
Volume72
DOIs
Publication statusPublished - 1 Oct 2017

Fingerprint

Rare earths
rare earth elements
elastic properties
Elastic constants
Hamiltonians
Titanium
Discrete Fourier transforms
pseudopotentials
titanium
Oxygen
Atoms
gradients
optimization
Geometry
Electrons
oxygen
geometry
cells
approximation
atoms

Keywords

  • Ab initio
  • DFT
  • Elastic constants
  • Titanate pyrochlores

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Computer Science(all)
  • Atomic and Molecular Physics, and Optics
  • Electrical and Electronic Engineering

WoS ResearchAreas Categories

  • Materials Science, Multidisciplinary
  • Optics

Cite this

@article{1b679d89d9b7454999ca671a1f7570e8,
title = "Elastic properties of rare earth pyrochlores R2Ti2O7 (R = Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu): Ab initio calculations",
keywords = "Ab initio, DFT, Elastic constants, Titanate pyrochlores",
author = "Chernyshev, {V. A.} and Petrov, {V. P.} and Nikiforov, {A. E.} and Agzamova, {P. A.} and Avram, {N. M.}",
year = "2017",
month = "10",
day = "1",
doi = "10.1016/j.optmat.2017.06.062",
language = "English",
volume = "72",
pages = "565--570",
journal = "Optical Materials",
issn = "0925-3467",
publisher = "Elsevier BV",

}

Elastic properties of rare earth pyrochlores R2Ti2O7 (R = Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu): Ab initio calculations. / Chernyshev, V. A.; Petrov, V. P.; Nikiforov, A. E.; Agzamova, P. A.; Avram, N. M.

In: Optical Materials, Vol. 72, 01.10.2017, p. 565-570.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - Elastic properties of rare earth pyrochlores R2Ti2O7 (R = Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu): Ab initio calculations

AU - Chernyshev, V. A.

AU - Petrov, V. P.

AU - Nikiforov, A. E.

AU - Agzamova, P. A.

AU - Avram, N. M.

PY - 2017/10/1

Y1 - 2017/10/1

KW - Ab initio

KW - DFT

KW - Elastic constants

KW - Titanate pyrochlores

UR - http://www.scopus.com/inward/record.url?scp=85021697840&partnerID=8YFLogxK

UR - https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=tsmetrics&SrcApp=tsm_test&DestApp=WOS_CPL&DestLinkType=FullRecord&KeyUT=000413880500085

U2 - 10.1016/j.optmat.2017.06.062

DO - 10.1016/j.optmat.2017.06.062

M3 - Article

VL - 72

SP - 565

EP - 570

JO - Optical Materials

JF - Optical Materials

SN - 0925-3467

ER -