NDLI: Ideal nanocheckerboard BiFeO3-BiMnO3 from first principles

Please wait, while we are loading the content...

Ideal nanocheckerboard BiFeO3-BiMnO3 from first principles

Content Provider	Semantic Scholar
Author	Pálová, Lucia Rabe, Karin M.
Copyright Year	2008
Abstract	Structure Ideal Distortion along z Distortion al. y Distortion al. [111] Magnetic order FeAFMMnFM * FeAFMMnFM * FeAFMMnFM Energy difference [eV] -0.519 -1.485 -1.623 -2.567 Gap [eV] Metallic Metallic 0.59 0.88 1.24 / 3.52 4.08, 1.22 / 3.65, 3.72 4.06, 0.06 / 3.06, 3.57 4.07, -4.04 / 3.71, 3.69 Magnetic order FeFMMnAFM (+ + +) ** FeFMMnAFM FeFMMnAFM FeFMMnAFM Energy difference [eV] -0.432 -1.263 -1.642 -2.466 Gap [eV] Metallic Half-metallic 0.58 0.95 1.18, -1.20 / 3.68, -3.19 4.08, 0.22 / 3.69, -2.904.08, 0.87 / 3.72, -3.524.08, 4.11 / -3.50, 3.75 Lowest in energy is R3c structure with rotation of oxygen Magnetic order G-AFM (+ +) G – AFM G – AFM G – AFM octahedra and distortion of ions along [111] direction; Energy difference [eV] -0.303 -1.202 -2.364 -2.463 Gap [eV] Metallic 1.12 1.55 0.94 0.51 / 3.38 0.99 / 3.52 3.98 / 3.54 4.04 / 3.54 Magnetic order C – FIM (+ + -) C – FIM C – FIM C – FIM Energy difference [eV] 0.000 -2.045 -2.128 -2.418 Gap [eV] Half-metallic 0.56 0.84 0.39 0.39 / -3.18 4.01 / 3.49 4.03 / 3.55 4.08 / 3.58 Magnetic order FeAFMMnAFM (+ + -) FeAFMMnAFM FeAFMMnAFM FeAFMMnAFM Energy difference [eV] -0.355 -0.785 -2.178 -2.377 Gap [eV] Metallic Metallic 1.31 0.85 1.18 / 3.50 1.14 / 3.57 4.02 / 3.65 4.07 / 3.71 Magnetic order FM (+ + + +) FM FM FM Energy difference [eV] -0.519 -1.763 -1.937 -2.261 Gap [eV] Metallic Metallic Metallic 0.13 1.24 / 3.52 3.86 / 3.41 3.83 / 3.40 4.11 / 3.79 * converges to (+ + + +) : FM order Energy diff. per double perovskite cell ** converges to (+ + -) : FeAFMMnAFM order FeAFMMnFM (+ + +) *
File Format	PDF HTM / HTML
Alternate Webpage(s)	http://www.physics.rutgers.edu/~lpalova/nanobfobmosb08.pdf
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

Central Library (ISO-9001:2015 Certified)
Indian Institute of Technology Kharagpur
Kharagpur, West Bengal, India | PIN - 721302

See location in the Map
03222 282435
Mail: support@ndl.gov.in

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in