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Structurally unstable A III BiO 3 perovskites are predicted to be topological insulators but their stable structural forms are trivial band insulators

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
Not Available
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0010467
OSTI ID:
1180196
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 16 Vol. 90; ISSN 1098-0121; ISSN PRBMDO
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (35)

Bi2La4O9: A Monoclinic Phase in the System Bi2O3–La2O3 journal July 1996
Study of the Crystal Structures of New Buffer Materials Bi 1−x Y x O 1.5 journal January 2010
Structural and dynamical studies of δ-Bi2O3 oxide ion conductors journal June 1986
An oxygen deficient fluorite with a tunnel structure: Bi8La10O27 journal February 1991
High-pressure phases of CaCO3: Crystal structure prediction and experiment journal January 2006
High-Pressure Synthesis, Crystal Structures, and Properties of Perovskite-like BiAlO 3 and Pyroxene-like BiGaO 3 journal January 2006
BiInO 3 :  A Polar Oxide with GdFeO 3 -Type Perovskite Structure journal April 2006
BiScO 3 :  Centrosymmetric BiMnO 3 -type Oxide journal January 2006
Tunable multifunctional topological insulators in ternary Heusler compounds journal May 2010
Half-Heusler ternary compounds as new multifunctional experimental platforms for topological quantum phenomena journal May 2010
A search model for topological insulators with high-throughput robustness descriptors journal May 2012
A large-energy-gap oxide topological insulator based on the superconductor BaBiO3 journal September 2013
Hidden spin polarization in inversion-symmetric bulk crystals journal April 2014
Topological Oxide Insulator in Cubic Perovskite Structure journal April 2013
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications journal June 2006
Structure prediction and targeted synthesis: A new NanN2 diazenide crystalline structure journal November 2010
The structural properties of the oxygen conducting δ phase of Bi 2 O 3 journal June 1983
Finding the lowest-energy crystal structure starting from randomly selected lattice vectors and atomic positions: first-principles evolutionary study of the Au–Pd, Cd–Pt, Al–Sc, Cu–Pd, Pd–Ti, and Ir–N binary systems journal July 2008
Ab initiomolecular dynamics for liquid metals journal January 1993
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
A periodic genetic algorithm with real-space representation for crystal structure and polymorph prediction journal June 2006
Global space-group optimization problem: Finding the stablest crystal structure without constraints journal March 2007
Topological insulators with inversion symmetry journal July 2007
Possible pitfalls in theoretical determination of ground-state crystal structures: The case of platinum nitride journal March 2009
Predicting stable stoichiometries of compounds via evolutionary global space-group optimization journal September 2009
Topological insulator phase in halide perovskite structures journal September 2012
Two-dimensional topological insulators with binary honeycomb lattices: Si C 3 siligraphene and its analogs journal May 2014
Altered Reactivity and the Emergence of Ionic Metal Ordered Structures in Li-Cs at High Pressures journal June 2010
Topological Insulators in Ternary Compounds with a Honeycomb Lattice journal April 2011
Spin-Orbital Texture in Topological Insulators journal August 2013
Large-Gap Quantum Spin Hall Insulators in Tin Films journal September 2013
Special quasirandom structures journal July 1990
Octahedral Tilting in Perovskites. I. Geometrical Considerations journal February 1997
Octahedral Tilting in Perovskites. II. Structure Stabilizing Forces journal February 1997
Possible new single-buffer layers for YBa 2 Cu 3 O 7− y coated conductors prepared by chemical solution deposition journal September 2007

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