Crystal structure and surface relaxation in Cr2O3 with a transferable oxide interaction potential

Crystal structure and surface relaxation in Cr2O3 with a transferable oxide interaction potential

An extended ionic interaction model, originally devised for alkaline earth oxides, is transformed into a potential for Cr2O3 by scaling parameters in a well-defined way to allow for the changes in cation radius and charge and in ionic polarizability. The extended ionic model allows for the induction...

Deskribapen osoa

Xehetasun bibliografikoak
Egile Nagusiak:	Rowley, A, Wilson, M, Madden, P
Formatua:	Journal article
Hizkuntza:	English
Argitaratua:	IOP 1999

Antzeko izenburuak

A generic ionic potential for the alkaline-earth oxides and the anomalous crystal structure of ZnO
nork: Wilson, M, et al.
Argitaratua: (1997)

Relationship of crystal structures to interionic interactions in mono-, di-, tri- and ter-valent metal oxides
nork: Wilson, M, et al.
Argitaratua: (1997)

Transferable interaction model for Al2O3
nork: Jahn, S, et al.
Argitaratua: (2006)

Evaluation of the many-body contributions to the interionic interactions in MgO
nork: Rowley, A, et al.
Argitaratua: (1998)

Cation polarization and the crystal structure of SnO
nork: Wilson, M, et al.
Argitaratua: (1996)

Refinement of the crystal structure of dilead(II) oxide chromate(VI), Pb2O(CrO4)
nork: Klein Wilhelm, et al.
Argitaratua: (2010-06-01)

Dislocation interactions during plastic relaxation of epitaxial colloidal crystals
nork: Ilya Svetlizky, et al.
Argitaratua: (2023-09-01)

A transferable representation of the induced multipoles in ionic crystals
nork: Domene, C, et al.
Argitaratua: (2002)

Fully transferable interatomic potentials for large-scale computer simulations of simple metal oxides: Application to MgO
nork: Aguado, A, et al.
Argitaratua: (2004)

OXYGEN-CHEMISORPTION AND CORROSION ON CR(100) AND CR(110) SINGLE-CRYSTAL SURFACES
nork: Foord, J, et al.
Argitaratua: (1985)

Structures and magnetic ordering in layered CR oxide arsenides Sr2CrO2Cr2OAs2 and Sr2CrO3CrAs
nork: Sheath, BC, et al.
Argitaratua: (2022)

Structures and magnetic ordering in the layered Cr oxide arsenides Sr2CrO2Cr2OAs2 and Sr2CrO3CrAs
nork: Sheath, BC, et al.
Argitaratua: (2022)

Oxide potentials from ab initio molecular dynamics: An assessment of their transferability
nork: Aguado, A, et al.
Argitaratua: (2003)

From first-principles to the properties of ionic materials, via transferable interaction potentials
nork: Madden, P
Argitaratua: (2007)

On potential energy surfaces and relaxation to the global minimum
nork: Doye, J, et al.
Argitaratua: (1996)

Magnetic ordering in the layered Cr(II) oxide arsenides Sr₂CrO₂Cr₂As₂ and Ba₂CrO₂Cr₂As₂
nork: Xu, X, et al.
Argitaratua: (2020)

A molecular dynamics study of structural relaxation in tetrahedrally coordinated nanocrystals.
nork: Morgan, B, et al.
Argitaratua: (2007)

PHYS 323-From first-principles to the properties of ionic materials, via transferable interaction potentials
nork: Madden, P
Argitaratua: (2006)

Crystal structure of ω-Al4Cr
nork: Changzeng Fan, et al.
Argitaratua: (2018-02-01)

3R-CuCrO2 delafosite: crystal growth, crystal structure, dielectric and DC conductivity properties
nork: Anton Matasov, et al.
Argitaratua: (2024-11-01)

alpha and beta relaxation processes in ZnCl2 - a computer simulation study
nork: Wilson, M, et al.
Argitaratua: (1999)

Stress Relaxation Behavior of Cavitation-Processed Cr–Mo Steel and Ni–Cr–Mo Steel
nork: Kumiko Tanaka, et al.
Argitaratua: (2019-01-01)

Indomethacin: The Interplay between Structural Relaxation, Viscous Flow and Crystal Growth
nork: Roman Svoboda, et al.
Argitaratua: (2022-09-01)

Electron-lattice relaxation, and soliton structures and their interactions in polyenes
nork: Bursill, R, et al.
Argitaratua: (1999)

Crystal structure of rubidium chromium diphosphate, RbCrP2O7
nork: Zhao Dan, et al.
Argitaratua: (2011-12-01)

The +2 oxidation state of Cr incorporated into the crystal lattice of UO2
nork: Mengli Sun, et al.
Argitaratua: (2020-03-01)

Phase transitions and exchange interactions in the SmCr3(BO3)4 crystal
nork: Dobretsova E.A., et al.
Argitaratua: (2017-01-01)

Photoinduced phase transition and relaxation in bare SrTiO3 single crystals
nork: Jin, K. X., et al.
Argitaratua: (2013)

Surface Electronic Structure of Cr Doped Bi<sub>2</sub>Se<sub>3</sub> Single Crystals
nork: Turgut Yilmaz, et al.
Argitaratua: (2024-09-01)

Local structure investigation of Cr3+ doped KTP single crystals
nork: Maroj Bharati, et al.
Argitaratua: (2023-12-01)

BOSON PEAKS AND SLOW RELAXATION IN A SIMULATION OF A NETWORK-FORMING IONIC MELT
nork: Foley, M, et al.
Argitaratua: (1995)

Structure and dynamics in liquid alumina: Simulations with an ab initio interaction potential
nork: Jahn, S, et al.
Argitaratua: (2007)

Simulation of pressure-driven phase transitions from tetrahedral crystal structures
nork: Wilson, M, et al.
Argitaratua: (2002)

Stress Relaxation Behavior and Its Prediction of CrMoWV Steel
nork: CAO Tie-shan, et al.
Argitaratua: (2017-05-01)

Synthesis and crystal structures of the new ternary nitrides Sr3CrN3 and Ba3CrN3
nork: Barker, MG, et al.
Argitaratua: (1996)

The Effect of Surface Coating of Iron Oxide Nanoparticles on Magnetic Resonance Imaging Relaxivity
nork: Fatemeh Ahmadpoor, et al.
Argitaratua: (2021-04-01)

Modeling Earth materials from crustal to lower mantle conditions: A transferable set of interaction potentials for the CMAS system
nork: Jahn, S, et al.
Argitaratua: (2007)

On stability and relaxation techniques for partitioned fluid‐structure interaction simulations
nork: Johan Lorentzon, et al.
Argitaratua: (2022-10-01)

Crystal structure of cobalt chromium germanium, CoCrGe
nork: Wirringa J., et al.
Argitaratua: (2000-02-01)

Oxide particle–dislocation interaction in 9Cr-ODS steel
nork: Yuta Ijiri, et al.
Argitaratua: (2016-12-01)