BetaCitation Atlas

RESEARCH PAPER · Journal of Physics Condensed Matter · 2007

Correlations between transition temperature, tolerance factor and cohesive energy in 2+:4+ perovskites

Pavel Goudochnikov, Andrew J. Bell

Read original paper ↗

See where this research leads.

92 direct citing papers in this saved network. Explore the next layer with second-order citations.

Open in your workspace →Saved 2026-10-14 · complete coverage
Filter Citing Papers
Press Enter or comma to add · × to remove · searches titles and available abstracts
Journals
All journals
Most represented first · select one or more
Explore Terms In These PapersHide SuggestionsShow Suggestions

Original and current center papers stay visible as anchors.
Numbers show citations received
42 direct citing works

Correlations between transition temperature, tolerance factor and cohesive energy in 2+:4+ perovskitesOriginalLattice dynamics investigation of different transition behaviors of cubic BaTiO3and SrTiO3by first-principles calculations28Rhombohedral–Tetragonal Phase Boundary with High Curie Temperature in (1-x)BiCoO 3 –xBiFeO 3 Solid Solution99Lattice constant of orthorhomic perovskite solids27Lattice constant of cubic perovskites183Phase stability and dielectric constant of ABO3 perovskites from first principles31Electronic structures and ferroelectric instabilities of cubic AV O3(A = Sr, Ba, and Pb) perovskites by first-principles calculations20Compositionally driven ferroelectric phase transition in xBiInO3–(1−x)BaTiO3: a lead-free perovskite-based piezoelectric material9Hybrid HF–DFT modeling of monolayer water adsorption on (001) surface of cubic BaHfO3 and BaZrO3 crystals43A systematic study of ideal and double layer reconstructions of ABO3(001) surfaces (A = Sr, Ba; B = Ti, Zr) from first principles31First-principles study of the structural, elastic, electronic, optical and thermodynamic properties of the cubic perovskite CsCdCl3 under high pressure74Effect of doping and oxygen vacancies on the octahedral tilt transitions in the BaCeO3 perovskite23A molecular dynamics study of structural and dynamical correlations of CaTiO330Hybrid density functional theory LCAO calculations on phonons in Ba(Ti,Zr,Hf) 359First-principles calculations on structural, elastic, electronic, optical and thermal properties of CsPbCl3 perovskite82Structural, elastic, electronic, optical and thermal properties of cubic perovskite CsCdF3under pressure effect21Barium titanate ground- and excited-state properties from first-principles calculations112Identifying the ‘inorganic gene’ for high-temperature piezoelectric perovskites through statistical learning98Materials development for commercial multilayer ceramic capacitors8LCAO Calculations of Perfect-Crystal Properties1First‐principles calculations on the four phases of BaTiO3126Theoretical prediction of the structural, elastic, electronic, optical and thermal properties of the cubic perovskites CsXF3 (X = Ca, Sr and Hg) under pressure effect50Strain dependent polarization and dielectric properties of epitaxial BaTiO3 from first-principles17First-principles study of electronic and optical properties of cubic perovskite CsSrF347First-Principles Study of Electronic Structure and Optical Properties of Cubic Perovskite CsCaF368Dielectric properties of Mg- and Mn-doped (Ba1−xSrx)(Ti1−yZry)O37Hydrogen diffusion in the protonic conductor BaCe 1−x Gd x O 3−x2 from density functional theory44Vacancy and doping driven ferromagnetism in BaTiO3 perovskite31Low-temperature phase of BaTiO 3 : Piezoelectric, dielectric, elastic, and photoelastic properties fromab initiosimulations77High-pressure synthesis of BaVO3: A new cubic perovskite38Structural and optoelectronic properties of cubic perovskite RbPbF313Structural, Elastic, Electronic, and Optical Properties of Cubic Perovskite CsCaCl3Compound: An ab initio Study110Electronic structure and surface properties of PrMnO3 (001): A density functional theory study24The Symmetry Groups in Three-Dimensional Space0Thermal expansion of nano-sized BaTiO 329Interrelation of ferroelectricity and tilting in perovskites using the phase transitions in PbZr1−xTixO3 as an example6New PbTiO 3 -Type Giant Tetragonal Compound Bi 2 ZnVO 6 and Its Stability under Pressure34Theoretical study of the structural, elastic, electronic and optical properties of XCaF3 (X = K and Rb)31New ultraviolet B emission from gadolinium activated BaZrO3 phosphor - An electron paramagnetic resonance and optical study25Theoretical Study of Cubic and Orthorhombic Nd1–xSrxMnO3 as a Potential Solid Oxide Fuel Cell Cathode6Phase transitions, domain structure, and pseudosymmetry in La- and Ti-doped BiFeO330Structural and response properties of all BaTiO3 phases from density functional theory using the projector-augmented-wave methods18The first-principle study of the electronic, optical and thermoelectric properties of XTiO3 (X = Ca, Sr and Ba) compounds100Atomistic simulations of symmetrical low-angle [100] (01l) tilt boundaries in SrTiO318Atomistic mechanism leading to complex antiferroelectric and incommensurate perovskites34Mechanical properties, Born effective charge tensors and high frequency dielectric constants of the eight phases of BaTiO315Hydrogen storage in lithium hydride: A theoretical approach39Cation modified A 2 (Ba, Sr and Ca) ZnWO 6 cubic double perovskites: A theoretical study42Suppression of surfaces states at cubic perovskite (001) surfaces by CO 2 adsorption16Theoretical investigation of anisotropic mechanical and thermal properties of AB O 3 ( A =Sr, Ba; B =Ti, Zr, Hf) perovskites82Energy storage at Perovskite interfaces2Advances on strategies for searching for next generation thermal barrier coating materials442Temperature-Driven Multiferroic Phase Transitions and Structural Instability Evolution in Lanthanum-Substituted Bismuth Ferrite18First-principles study of structural, electronic, elastic, thermodynamic and optical properties of topological superconductor LuPtBi66Triggered incommensurate transition in PbHfO332Mutual Insight on Ferroelectrics and Hybrid Halide Perovskites: A Platform for Future Multifunctional Energy Conversion1069Phase Transitions in Lead Hafnate under High Pressure14Temperature dependence on phase evolution in the BaTiO3 polytypes studied using ab initio calculations40Hybrid density functional theory description of non-metal doping in perovskite BaTiO3 for visible-light photocatalysis35Structural, electronic and optical properties of cubic perovskite RbYbF3 under pressure: a first principles study44The Symmetry Groups in Three-Dimensional Space1Pushing the Limits of Metastability in Semiconducting Perovskite Oxides for Visible-Light-Driven Water Oxidation33A computational insight of electronic and optical properties of Cd-doped BaZrO331Structural stabilities, electronic structure, optical and elastic properties of ternary Fe2SiO4 spinel: An ab initio study11Theoretical investigation of structural, electronic, dielectric and optical characteristics of cubic perovskite BaCeO311Structural, electrical and dielectric investigations of cerium doped barium zirconate (BaZrO3) nano-ceramics produced via green synthesis: Probable candidate for solid oxide fuel cells and microwave applications36Structural instability and phase transition in BaZrO3 single crystals: Brillouin scattering and DFT study18ZrO2 Reduction at Low Temperature in Co-Sputtered ZrxHf1−xO2 Thin-Films3Systematic study of phase transformation, wide-to-narrow electronic band transition and optical properties of barium zirconium Oxynitrate: Ab initio calculations1A theoretical study on tetragonal BaTiO3 modified by surface co-doping for photocatalytic overall water splitting12Defect engineering of lead-free ferroelectric ceramics BaTiO3 through acceptor doping0Composition‐independent Curie point ( T c ) in ferroelectric (1 − x )PbTiO 3 – x Bi(Li 1/2 Nb 1/2 )O 3 solid solution3Pressure‐Induced Semiconductor‐to‐Metallic Transition of Monoclinic KCa 2 Nb 3 O 10 Layered Perovskite: A Theoretical DFT Insight13Isotropic pressure induced structural, electronic, photocatalytic, elastic and mechanical properties of RbPbF3: GGA-PBE and HSE03 based computational estimation10Structural, electronic, and optical properties of cubic perovskites BiMO3 (M = Al, Ga & In) – A computational study7Tuning the energy landscape of CaTiO3 into that of antiferroelectric PbZrO36Linking stability with molecular geometries of perovskites and lanthanide richness using machine learning methods16First-principle insight on the electronics and structural properties of lanthanide metal doped BaZrO33Comprehensive first-principles study of structural, electronic, optical, and elastic properties of FrBCl3 (B = Mg & Ba) cubic perovskites1Pressure-induced structural, mechanical, and thermal properties of InAs nanocrystals via DFT simulation4Examining the power of BiXO3 (X = Cr, Cu) oxide-perovskites: A first-principles study for next-generation solar cells0Role of Electron–Phonon Interaction in Phase Transition of Zr-Substituted BaTiO 37Comparative B3PW and B3LYP Calculations of ABO3 (A = Ba, Sr, Pb, Ca; B = Sn, Ti, Zr) Neutral (001) and Polar (111) Surfaces33Effects of Various Fuels on the Qualified Photoluminescence and Thermoluminescence Properties of BaZrO3 Nanophosphors0Selection of low and ultra-low thermal conductivity materials for insulating layers of TBC systems in the context of computational materials science opportunities—a review5Ab initio quantum simulations of X2AlAgF6 (X = Li, Na) halide double perovskites compounds for electronic and optoelectronic applications6Structural, optical, and dielectric properties of Sr2MWO6 (M = Ba, Mg, Zn, and Ca) double perovskites5Effect of Ca2 + ion on structural, optical and electrical properties of lead free NBT ceramics1Structural and dielectric properties of BaTiO3 nanoparticles1Probing the physical attributes of calcium-based perovskites for ACaI3 (A = Li and Na) perovskites for next-generation renewable energy devices via TB-mBJ approach5Mn-doped barium zirconate nanoparticles for high-performance photocatalyst applications2First-principles insights into band gap engineering and thermophysical properties of La-based perovskite oxides for solar-driven water splitting6Impact of alkali (Na, K, Cs) substitution on the structural, electronic and optical properties of MAPI perovskites: a first-principles approach1

Arrows point to the paper being cited. Selecting a paper shows its incoming citations and its known path back to the original paper.

Drag to pan · Use + / − to zoom · Escape to close43 nodes / 53 citation links
Browse Matching Papers

Papers that cite this work

92 direct citing papers saved. Showing the first 50 here; use Browse Matching Papers in the map for all loaded papers.

  1. Lattice dynamics investigation of different transition behaviors of cubic BaTiO3and SrTiO3by first-principles calculations

    Journal of Physics Condensed Matter · 2008-04-22

    Ying Hao Xie, Haitao Yu, Guoxu Zhang, Honggang Fu

    Read original paper ↗ ·

  2. Rhombohedral–Tetragonal Phase Boundary with High Curie Temperature in (1-x)BiCoO 3 –xBiFeO 3 Solid Solution

    Japanese Journal of Applied Physics · 2008-09-01

    Masaki Azuma, Seiji Niitaka, Naoaki Hayashi, Kengo Oka, Mikio Takano, Hiroshi Funakubo, Yuichi Shimakawa

    Read original paper ↗ ·

  3. Lattice constant of orthorhomic perovskite solids

    Journal of Alloys and Compounds · 2009-02-12

    Abhishek Kumar, Ajay Singh Verma

    Read original paper ↗ ·

  4. Lattice constant of cubic perovskites

    Journal of Alloys and Compounds · 2009-06-09

    Ajay Singh Verma, Vijay Kumar Jindal

    Read original paper ↗ ·

  5. Phase stability and dielectric constant of ABO3 perovskites from first principles

    Journal of Applied Physics · 2009-07-01

    Alfred Kersch, Dominik Fischer

    Read original paper ↗ ·

  6. Electronic structures and ferroelectric instabilities of cubic AV O3(A = Sr, Ba, and Pb) perovskites by first-principles calculations

    Journal of Physics Condensed Matter · 2010-03-08

    Shu-Yao Yan, Ying Hao Xie, Tao Liu, Haitao Yu

    Read original paper ↗ ·

  7. Compositionally driven ferroelectric phase transition in xBiInO3–(1−x)BaTiO3: a lead-free perovskite-based piezoelectric material

    Applied Physics Letters · 2010-05-31

    Kaustuv Datta, Emmanuelle Suard, Pamela A. Thomas

    Read original paper ↗ ·

  8. Hybrid HF–DFT modeling of monolayer water adsorption on (001) surface of cubic BaHfO3 and BaZrO3 crystals

    Surface Science · 2010-06-05

    Andrei V. Bandura, R. A. Évarestov, Dmitry D. Kuruch

    Read original paper ↗ ·

  9. A systematic study of ideal and double layer reconstructions of ABO3(001) surfaces (A = Sr, Ba; B = Ti, Zr) from first principles

    Journal of Physics Condensed Matter · 2010-07-02

    Nadia Iles, Fabio Finocchi, Kouider Driss-Khodja

    Read original paper ↗ ·

  10. First-principles study of the structural, elastic, electronic, optical and thermodynamic properties of the cubic perovskite CsCdCl3 under high pressure

    Solid State Communications · 2010-08-03

    Brahim Ghebouli, Mohamed Amine Ghebouli, Messaoud Fatmi, Abdelmadjid Bouhemadou

    Read original paper ↗ ·

  11. Effect of doping and oxygen vacancies on the octahedral tilt transitions in the BaCeO3 perovskite

    Physical Review B · 2010-09-01

    F. Cordero, F. Trequattrini, Francesca Deganello, Valeria La Parola, Edoardo Roncari, Alessandra Sanson

    Read original paper ↗ ·

  12. A molecular dynamics study of structural and dynamical correlations of CaTiO3

    Acta Materialia · 2010-11-21

    James Alves de Souza, José Pedro Rino

    Read original paper ↗ ·

  13. Hybrid density functional theory LCAO calculations on phonons in Ba(Ti,Zr,Hf) 3

    Physical Review B · 2011-01-24

    R. A. Évarestov

    Read original paper ↗ ·

  14. First-principles calculations on structural, elastic, electronic, optical and thermal properties of CsPbCl3 perovskite

    Physica B Condensed Matter · 2011-02-19

    Mohamed Amine Ghebouli, Brahim Ghebouli, Messaoud Fatmi

    Read original paper ↗ ·

  15. Structural, elastic, electronic, optical and thermal properties of cubic perovskite CsCdF3under pressure effect

    The European Physical Journal Applied Physics · 2011-02-22

    Brahim Ghebouli, Mohamed Amine Ghebouli, Messaoud Fatmi

    Read original paper ↗ ·

  16. Barium titanate ground- and excited-state properties from first-principles calculations

    Physical Review B · 2011-02-23

    Simone Sanna, Christian Thierfelder, Stefan Martin Wippermann, T. P. Sinha, W. G. Schmidt

    Read original paper ↗ ·

  17. Identifying the ‘inorganic gene’ for high-temperature piezoelectric perovskites through statistical learning

    Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences · 2011-03-02

    Prasanna V. Balachandran, Scott Broderick, Krishna Rajan

    Read original paper ↗ ·

  18. Materials development for commercial multilayer ceramic capacitors

    Unknown journal · 2011-10-03

    Ronald Mikkenie

    Read original paper ↗ ·

  19. LCAO Calculations of Perfect-Crystal Properties

    Springer series in solid-state sciences · 2012-01-01

    R. A. Évarestov

    Read original paper ↗ ·

  20. First‐principles calculations on the four phases of BaTiO3

    Journal of Computational Chemistry · 2012-02-27

    R. A. Évarestov, Andrei V. Bandura

    Read original paper ↗ ·

  21. Theoretical prediction of the structural, elastic, electronic, optical and thermal properties of the cubic perovskites CsXF3 (X = Ca, Sr and Hg) under pressure effect

    Solid State Sciences · 2012-04-30

    Brahim Ghebouli, Mohamed Amine Ghebouli, Abdelmadjid Bouhemadou, Messaoud Fatmi, R. Khenata, Djamel Rached, Tarik Ouahrani, Saad Bin-Omran

    Read original paper ↗ ·

  22. Strain dependent polarization and dielectric properties of epitaxial BaTiO3 from first-principles

    Journal of Applied Physics · 2012-07-01

    Phuong‐Vu Ong, Jaichan Lee

    Read original paper ↗ ·

  23. First-principles study of electronic and optical properties of cubic perovskite CsSrF3

    Materials Science-Poland · 2012-10-17

    K. Ephraim Babu, Adamilli Veeraiah, D TIRUPATHI SWAMY, Valaparla Veeraiah

    Read original paper ↗ ·

  24. First-Principles Study of Electronic Structure and Optical Properties of Cubic Perovskite CsCaF3

    Chinese Physics Letters · 2012-11-01

    K. Ephraim Babu, Adamilli Veeraiah, D TIRUPATHI SWAMY, Valaparla Veeraiah

    Read original paper ↗ ·

  25. Dielectric properties of Mg- and Mn-doped (Ba1−xSrx)(Ti1−yZry)O3

    Metals and Materials International · 2013-03-01

    Soo Kyong Jo, Sung Hyung Kang, Young Ho Han

    Read original paper ↗ ·

  26. Hydrogen diffusion in the protonic conductor BaCe 1−x Gd x O 3−x2 from density functional theory

    Physical Review B · 2013-03-22

    Jessica Hermet, Marc Torrent, François Bottin A, Guilhem Dezanneau, Grégory Geneste

    Read original paper ↗ ·

  27. Vacancy and doping driven ferromagnetism in BaTiO3 perovskite

    Physica B Condensed Matter · 2013-05-14

    Qinglong Fang, Jian‐Min Zhang, Kewei Xu

    Read original paper ↗ ·

  28. Low-temperature phase of BaTiO 3 : Piezoelectric, dielectric, elastic, and photoelastic properties fromab initiosimulations

    Physical Review B · 2014-01-06

    Agnes Mahmoud, Alessandro Erba, Khaled E. El‐Kelany, Michel Rérat, Roberto Orlando

    Read original paper ↗ ·

  29. High-pressure synthesis of BaVO3: A new cubic perovskite

    Journal of Physics and Chemistry of Solids · 2014-02-17

    Kousuke Nishimura, Ikuya Yamada, Kengo Oka, Yuichi Shimakawa, Masaki Azuma

    Read original paper ↗ ·

  30. Structural and optoelectronic properties of cubic perovskite RbPbF3

    Bulletin of Materials Science · 2014-04-01

    K. Ephraim Babu, Nandigam Murali, D TIRUPATHI SWAMY, Valaparla Veeraiah

    Read original paper ↗ ·

  31. Structural, Elastic, Electronic, and Optical Properties of Cubic Perovskite CsCaCl3Compound: An ab initio Study

    Acta Physica Polonica A · 2014-05-01

    K. Ephraim Babu, Nandigam Murali, K. Vijaya Babu, Paulos Taddesse, Valaparla Veeraiah

    Read original paper ↗ ·

  32. Electronic structure and surface properties of PrMnO3 (001): A density functional theory study

    Solid State Communications · 2014-10-16

    Yongjun Zhou, Zhe Lü, Bo Wei, Zhihong Wang, Xingbao Zhu

    Read original paper ↗ ·

  33. The Symmetry Groups in Three-Dimensional Space

    Nanoscience and technology · 2015-01-01

    R. A. Évarestov

    Read original paper ↗ ·

  34. Thermal expansion of nano-sized BaTiO 3

    CrystEngComm · 2015-01-01

    Mingkai Han, Yangchun Rong, Qiang Li, Xianran Xing, Longtian Kang

    Read original paper ↗ ·

  35. Interrelation of ferroelectricity and tilting in perovskites using the phase transitions in PbZr1−xTixO3 as an example

    Solid State Sciences · 2015-01-06

    Aleksander Andreevich Spivakov, Yu.N. Zakharov, Nikita V. Ter-Oganessian, A. G. Lutokhin, E. M. Panchenko, V. P. Sakhnenko

    Read original paper ↗ ·

  36. New PbTiO 3 -Type Giant Tetragonal Compound Bi 2 ZnVO 6 and Its Stability under Pressure

    Chemistry of Materials · 2015-02-20

    Runze Yu, Hajime Hojo, Kengo Oka, Tetsu Watanuki, Akihiko Machida, Keisuke Shimizu, Kiho Nakano, Masaki Azuma

    Read original paper ↗ ·

  37. Theoretical study of the structural, elastic, electronic and optical properties of XCaF3 (X = K and Rb)

    Solid State Sciences · 2015-03-11

    Brahim Ghebouli, Messaoud Fatmi, Mohamed Amine Ghebouli, H. Choutri, Layachi Louail, T. Chihi, Abdelmadjid Bouhemadou, Saad Bin-Omran

    Read original paper ↗ ·

  38. New ultraviolet B emission from gadolinium activated BaZrO3 phosphor - An electron paramagnetic resonance and optical study

    Journal of Alloys and Compounds · 2015-07-05

    Vijay Singh, Gobburu SivaRamaiah, J.L. Rao, S. Watanabe, T.K. Gundu Rao, Sujit Sadashiv Jagtap, Pramod K. Singh

    Read original paper ↗ ·

  39. Theoretical Study of Cubic and Orthorhombic Nd1–xSrxMnO3 as a Potential Solid Oxide Fuel Cell Cathode

    Fuel Cells · 2015-08-03

    Y. Zhou, Zhenhang Lu, Shifeng Xu, D. Xu, Zhi Mao Yang

    Read original paper ↗ ·

  40. Phase transitions, domain structure, and pseudosymmetry in La- and Ti-doped BiFeO3

    Journal of Applied Physics · 2016-02-03

    Amir Khesro, Rebecca Boston, Iasmi Sterianou, Derek C. Sinclair, Ian Michael Reaney

    Read original paper ↗ ·

  41. Structural and response properties of all BaTiO3 phases from density functional theory using the projector-augmented-wave methods

    Computational Materials Science · 2016-02-27

    Eong Sheng Goh, Lye-Hock Ong, Tiem Leong Yoon, Khian‐Hooi Chew

    Read original paper ↗ ·

  42. The first-principle study of the electronic, optical and thermoelectric properties of XTiO3 (X = Ca, Sr and Ba) compounds

    International Journal of Modern Physics B · 2016-07-14

    A. A. Mubarak

    Read original paper ↗ ·

  43. Atomistic simulations of symmetrical low-angle [100] (01l) tilt boundaries in SrTiO3

    Acta Materialia · 2016-08-07

    Amr H. H. Ramadan, Roger A. De Souza

    Read original paper ↗ ·

  44. Atomistic mechanism leading to complex antiferroelectric and incommensurate perovskites

    Physical review. B./Physical review. B · 2016-08-12

    Kinnary Y. Patel, S. A. Prosandeev, Yurong Yang, Bin Xu, Jorge Íñiguez, L. Bellaïche

    Read original paper ↗ ·

  45. Mechanical properties, Born effective charge tensors and high frequency dielectric constants of the eight phases of BaTiO3

    Moscow University Physics Bulletin · 2017-07-01

    Xiao Peng Jia, Hongqi Zhang, Zheng Wang, Cheng‐Lu Jiang, Qi‐Jun Liu, Zheng‐Tang Liu

    Read original paper ↗ ·

  46. Hydrogen storage in lithium hydride: A theoretical approach

    Journal of Physics and Chemistry of Solids · 2017-11-28

    Suman Banger, Vikas Nayak, Udai Pratap Verma

    Read original paper ↗ ·

  47. Cation modified A 2 (Ba, Sr and Ca) ZnWO 6 cubic double perovskites: A theoretical study

    Computational Condensed Matter · 2017-12-22

    Rajneesh Chaurasiya, S. Auluck, Ambesh Dixit

    Read original paper ↗ ·

  48. Suppression of surfaces states at cubic perovskite (001) surfaces by CO 2 adsorption

    Physical Chemistry Chemical Physics · 2018-01-01

    Kostiantyn V. Sopiha, Oleksandr I. Malyi, Clas Persson, Ping Wu

    Read original paper ↗ ·

  49. Theoretical investigation of anisotropic mechanical and thermal properties of AB O 3 ( A =Sr, Ba; B =Ti, Zr, Hf) perovskites

    Journal of the American Ceramic Society · 2018-02-15

    Yuchen Liu, Bin Liu, Huimin Xiang, Yanchun Zhou, Hongqiang Nian, Hongfei Chen, Guang Yang, Yanfeng Gao

    Read original paper ↗ ·

  50. Energy storage at Perovskite interfaces

    Spiral (Imperial College London) · 2018-04-01

    Peter Davies

    Read original paper ↗ ·
More citing papers →
Citation Atlas · A map of research, not a ranking.