About: Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

scholarly article in Physical Review B, vol. 81 no. 9, March 2010

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в березні 2010 (uk) im März 2010 veröffentlichter wissenschaftlicher Artikel (de) scholarly article in Physical Review B, vol. 81 no. 9, March 2010 (en)
publication date	wds:Q57618941-2B17A62D-CB06-47A9-AEB2-613658D1640F
publication date	2010-03-12 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57618941-4170DF9E-EDFA-46CA-A5DC-431E406D44BF
language of work or name	English
cites work	wds:Q57618941-05FCF212-211C-4B6D-B2FE-94C7E5F6B0E8 wds:Q57618941-0D572B6C-5A16-43F7-98EE-1B1973705420 wds:Q57618941-1695B03B-144C-421A-A961-7298CB141F73 wds:Q57618941-1B9132AE-5EFA-4AD9-B70A-BFE58BFE8001 wds:Q57618941-30AE5C0B-C383-49B4-96CD-9FDB9096E157 wds:Q57618941-3A024D88-F688-4C05-9111-4F9CD96EDC4A wds:Q57618941-4C81FCDE-F7B5-4501-9CFA-88F595DCA1EB wds:Q57618941-A875DE61-5834-4D2F-971B-27339D0735D2 wds:Q57618941-BCE04BED-D010-4CE9-855A-A0C29A0D7C2B wds:Q57618941-C04A4A33-8A07-4DC9-B23B-885A3965314D wds:Q57618941-C39D8559-1010-40EC-8D04-2431EDC78573 wds:Q57618941-CBFDAAB3-1F56-4F0A-A7A5-465AC293727F wds:Q57618941-D50AD3E9-B434-431E-9485-C1A62E4D30AF wds:Q57618941-E788BB27-03CE-4A7C-81F4-2021501EC41A wds:Q57618941-F418E145-E7DF-4A5A-A9AC-62E26D3C48C7
cites work	Experimental observation of the effect of crystal field splitting on the electron density distribution of iron pyrite Electronic and magnetic structure of Fe 3 S 4 : GGA + U investigation Special points for Brillouin-zone integrations Restoring the density-gradient expansion for exchange in solids and surfaces. Band theory and Mott insulators: Hubbard U instead of Stoner I The SIESTA method forab initioorder-Nmaterials simulation Variational density-functional perturbation theory for dielectrics and lattice dynamics First principles methods using CASTEP Screened hybrid density functionals applied to solids. Chemistry of iron sulfides Numerical atomic orbitals for linear-scaling calculations Surfactant-Assisted Hydrothermal Synthesis of Single phase Pyrite FeS2Nanocrystals Adsorption of As(OH)3on the (001) Surface of FeS2Pyrite: A Quantum-mechanical DFT Study Iron isotope fractionation between pyrite (FeS2), hematite (Fe2O3) and siderite (FeCO3): A first-principles density functional theory study Sulfur deficiency in iron pyrite ( FeS 2 − x ) and its consequences for band-structure models
author name string	wds:Q57618941-AD110A50-6FA8-4CF8-BD46-408CEA2D1C08 wds:Q57618941-F97F5F70-F8F6-4D0A-8C11-6C3220C0228C
author name string	K. Wright J. D. Gale
rdfs:label	Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite (en) Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite (nl)
skos:prefLabel	Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite (en) Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite (nl)
name	Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite (en) Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite (nl)
author	wds:Q57618941-EE809B97-1B44-4D93-B154-5973AB287A5C wds:Q57618941-F4C10B5C-AED0-402D-B4F3-89B0A66FB0F3
author	Keith Refson Dino Spagnoli
title	wds:Q57618941-85B7FA07-E4D9-45D7-A10D-325C0A020B6B
title	Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite (en)
instance of	wds:Q57618941-60F1A17B-FCC4-41E6-973A-EA9BA3AF41B4
instance of	scholarly article
main subject	wds:Q57618941-BDD01591-2725-4EBF-95CE-1F9B619A86FB
main subject	density functional theory
published in	wds:Q57618941-FC423A9F-9F3A-47CA-9E22-6EAAB7BA44AB
published in	Physical Review B
issue	wds:Q57618941-B890F607-5AFA-4912-B4CE-10ED27BEB022
volume	wds:Q57618941-D789D56C-2167-4393-8B58-2EE14D763B9F
issue	9
volume	81
DOI	wds:Q57618941-368E9A87-8A47-4C71-A5E6-E94F4F6F472E
DOI	http://dx.doi.org/10.1103/PHYSREVB.81.094106
DOI	10.1103/PHYSREVB.81.094106
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57618941
is cites work of	Periodic DFT+U investigation of the bulk and surface properties of marcasite (FeS2). Enhanced Photoresponse of FeS2 Films: The Role of Marcasite-Pyrite Phase Junctions. First-principle modelling of forsterite surface properties: Accuracy of methods and basis sets A new structural model for disorder in vaterite from first-principles calculations Evaluating structure selection in the hydrothermal growth of FeS2 pyrite and marcasite
is cites work of	wds:Q47869101-F8330037-CF54-498A-A6B9-DB661975DC8E wds:Q39006843-16CE38C4-4E83-419D-9721-3F79A445C03F wds:Q37518576-70600A19-1FB6-4325-8F90-1DC673583DD8 wds:Q51164159-7CB0B687-5C62-4822-9CFE-9BE0469999A6 wds:Q57618918-36AC95CF-FCCE-496A-B7C2-0CBE5A3B8464

Faceted Search & Find service v1.16.117 as of May 05 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3239 as of May 5 2024, on Linux (x86_64-centos_6-linux-gnu), Single-Server Edition (378 GB total memory, 176 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software