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Title: Engineered unique elastic modes at a BaTiO3/2x1-Ge(001) interface

Journal Article · · Physical Review Letters
 [1];  [1];  [1];  [1];  [2];  [3];  [4];  [1];  [1];  [1]
  1. Yale Univ., New Haven, CT (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

In this study, the strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2 x 1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO3. While the complex crystal structure is predicted using first-principles theory, it is further shown that the details of the structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO3 induced by the symmetry of forces exerted by the germanium substrate.

Research Organization:
Brookhaven National Lab. (BNL), Upton, NY (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC00112704; AC02-06CH11357; AC02-98CH10886; AC05-00OR22725
OSTI ID:
1246789
Alternate ID(s):
OSTI ID: 1240486; OSTI ID: 1334459
Report Number(s):
BNL-111940-2016-JA; PRLTAO; R&D Project: 16060; KC0403020
Journal Information:
Physical Review Letters, Vol. 116, Issue 10; ISSN 0031-9007
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 14 works
Citation information provided by
Web of Science

References (45)

Strain-controlled band engineering and self-doping in ultrathin LaNiO 3 films journal March 2012
Control of octahedral connectivity in perovskite oxide heterostructures: An emerging route to multifunctional materials discovery journal March 2012
Mott Physics near the Insulator-To-Metal Transition in NdNiO 3 journal October 2011
Control of octahedral rotations in (LaNiO 3 ) n /(SrMnO 3 ) m superlattices journal April 2011
A strong ferroelectric ferromagnet created by means of spin–lattice coupling journal August 2010
Effect of Epitaxial Strain on the Spontaneous Polarization of Thin Film Ferroelectrics journal December 2005
Strain Tuning of Ferroelectric Thin Films journal August 2007
Improper ferroelectricity in perovskite oxide artificial superlattices journal April 2008
MATERIALS SCIENCE: Atomically Engineered Oxide Interfaces journal February 2009
Interface Physics in Complex Oxide Heterostructures journal March 2011
MATERIALS SCIENCE: The Renaissance of Magnetoelectric Multiferroics journal July 2005
Hybrid Improper Ferroelectricity: A Mechanism for Controllable Polarization-Magnetization Coupling journal March 2011
Coexistence of, and Competition between, Superconductivity and Charge-Stripe Order in La 1 . 6 x Nd 0.4 Sr x CuO 4 journal January 1997
Atomic Structure of the Epitaxial BaO / Si ( 001 ) Interface journal March 2009
Crystalline oxides on semiconductors: a future for the nanotransistor journal August 2004
Epitaxial growth of Pb(Zr0.2Ti0.8)O3 on Si and its nanoscale piezoelectric properties journal April 2001
Crystalline Oxides on Silicon: The First Five Monolayers journal October 1998
Quasi-zero lattice mismatch and band alignment of BaTiO 3 on epitaxial (110)Ge journal July 2013
Molecular beam epitaxial growth of BaTiO3 single crystal on Ge-on-Si(001) substrates journal February 2011
Atomic and electronic structure of the ferroelectric BaTiO 3 /Ge(001) interface journal June 2014
Hetero-epitaxy of perovskite oxides on GaAs(001) by molecular beam epitaxy journal August 2004
Atomic structure of epitaxial SrTiO3–GaAs(001) heterojunctions journal October 2005
Ferroelectricity in a quasiamorphous ultrathin BaTiO 3 film journal November 2011
Neutron Diffraction Study of Orthorhombic BaTi O 3 journal February 1957
The Ge(001) surface journal December 2003
Dimer Reconstruction of Diamond, Si, and Ge (001) Surfaces journal February 1995
Charge and Magnetic Order in L a 0.5 S r 1.5 Mn O 4 journal March 1996
Electron–phonon coupling reflecting dynamic charge inhomogeneity in copper oxide superconductors journal April 2006
Octahedral engineering of orbital polarizations in charge transfer oxides journal April 2013
Crystalline Oxides on Silicon journal April 2010
Epitaxial integration of perovskite-based multifunctional oxides on silicon journal May 2013
The atomic structure and polarization of strained SrTiO3/Si journal December 2010
Generalized Gradient Approximation Made Simple journal October 1996
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism journal April 1990
Maximally localized generalized Wannier functions for composite energy bands journal November 1997
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
Interface structure and film polarization in epitaxial SrTiO 3 /Si(001) journal May 2012
Lattice dynamics of BaTiO 3 , PbTiO 3 , and PbZrO 3 : A comparative first-principles study journal July 1999
Phonons and related crystal properties from density-functional perturbation theory journal July 2001
Phase Transitions in BaTi O 3 from First Principles journal September 1994
A climbing image nudged elastic band method for finding saddle points and minimum energy paths journal December 2000
Epitaxial growth of Pb(Zr(0.2)Ti(0.8))O3 on Si and its nanoscale piezoelectric properties conference January 2001
Crystalline oxides on semiconductors: a future for the nanotransistor journal August 2004
A strong ferroelectric ferromagnet created by means of spin–lattice coupling journal July 2011
Octahedral Engineering of Orbital Polarizations in Charge Transfer Oxides text January 2013

Cited By (4)

Epitaxial Oxides on Semiconductors: From Fundamentals to New Devices journal July 2019
Picoscale materials engineering journal September 2017
Interfacial structure of SrZr x Ti 1− x O 3 films on Ge journal November 2018
Interfacial Structure of SrZr$_{x}$Ti$_{1-x}$O$_3$ films on Ge text January 2018