Literature DB >> 9981806

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators.

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Abstract

Year:  1995        PMID： 9981806     DOI： 10.1103/physrevb.52.r5467

Source DB:  PubMed          Journal:  Phys Rev B Condens Matter        ISSN： 0163-1829


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  129 in total

1.  Magnetoelectric coupling of domains, domain walls and vortices in a multiferroic with independent magnetic and electric order.

Authors:  Marcela Giraldo; Quintin N Meier; Mads C Weber; Thomas Lottermoser; Amadé Bortis; Dominik Nowak; Nicola A Spaldin; Manfred Fiebig
Journal:  Nat Commun       Date:  2021-05-25       Impact factor: 14.919

2.  First principles study of periodic size dependent band gap variation of Cu doped ZnO single-wall nanotube.

Authors:  Dong Mei Song; Tong Hui Wang; Jian Chen Li
Journal:  J Mol Model       Date:  2012-07-03       Impact factor: 1.810

3.  Ab initio molecular dynamics calculations of ion hydration free energies.

Authors:  Kevin Leung; Susan B Rempe; O Anatole von Lilienfeld
Journal:  J Chem Phys       Date:  2009-05-28       Impact factor: 3.488

4.  Landau theory of topological defects in multiferroic hexagonal manganites.

Authors:  Sergey Artyukhin; Kris T Delaney; Nicola A Spaldin; Maxim Mostovoy
Journal:  Nat Mater       Date:  2013-10-27       Impact factor: 43.841

5.  Carrier localization in perovskite nickelates from oxygen vacancies.

Authors:  Michele Kotiuga; Zhen Zhang; Jiarui Li; Fanny Rodolakis; Hua Zhou; Ronny Sutarto; Feizhou He; Qi Wang; Yifei Sun; Ying Wang; Neda Alsadat Aghamiri; Steven Bennett Hancock; Leonid P Rokhinson; David P Landau; Yohannes Abate; John W Freeland; Riccardo Comin; Shriram Ramanathan; Karin M Rabe
Journal:  Proc Natl Acad Sci U S A       Date:  2019-10-14       Impact factor: 11.205

6.  Reduction of the bulk modulus at high pressure in CrN.

Authors:  Francisco Rivadulla; Manuel Bañobre-López; Camilo X Quintela; Alberto Piñeiro; Victor Pardo; Daniel Baldomir; Manuel Arturo López-Quintela; José Rivas; Carlos A Ramos; Horacio Salva; Jian-Shi Zhou; John B Goodenough
Journal:  Nat Mater       Date:  2009-10-25       Impact factor: 43.841

7.  Functional electronic inversion layers at ferroelectric domain walls.

Authors:  J A Mundy; J Schaab; Y Kumagai; A Cano; M Stengel; I P Krug; D M Gottlob; H Dog Anay; M E Holtz; R Held; Z Yan; E Bourret; C M Schneider; D G Schlom; D A Muller; R Ramesh; N A Spaldin; D Meier
Journal:  Nat Mater       Date:  2017-03-20       Impact factor: 43.841

Review 8.  Point defects in ZnO: an approach from first principles.

Authors:  Fumiyasu Oba; Minseok Choi; Atsushi Togo; Isao Tanaka
Journal:  Sci Technol Adv Mater       Date:  2011-05-27       Impact factor: 8.090

9.  Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities.

Authors:  Konstantinos D Vogiatzis; Mikhail V Polynski; Justin K Kirkland; Jacob Townsend; Ali Hashemi; Chong Liu; Evgeny A Pidko
Journal:  Chem Rev       Date:  2018-10-30       Impact factor: 60.622

10.  Cooperative insertion of CO2 in diamine-appended metal-organic frameworks.

Authors:  Thomas M McDonald; Jarad A Mason; Xueqian Kong; Eric D Bloch; David Gygi; Alessandro Dani; Valentina Crocellà; Filippo Giordanino; Samuel O Odoh; Walter S Drisdell; Bess Vlaisavljevich; Allison L Dzubak; Roberta Poloni; Sondre K Schnell; Nora Planas; Kyuho Lee; Tod Pascal; Liwen F Wan; David Prendergast; Jeffrey B Neaton; Berend Smit; Jeffrey B Kortright; Laura Gagliardi; Silvia Bordiga; Jeffrey A Reimer; Jeffrey R Long
Journal:  Nature       Date:  2015-03-11       Impact factor: 49.962
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