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- First-Principles Modeling of Multiferroic RMn2O5 Guang-Can Guo,1
- Ab initio study of the phase diagram of epitaxial BaTiO3 Oswaldo Diguez,* Silvia Tinte, A. Antons, Claudia Bungaro, J. B. Neaton,
- Metric tensor formulation of strain in density-functional perturbation theory D. R. Hamann,1,2,3
- Atomic structure of dislocation kinks in silicon R. W. Nunes
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- VOLUME 79, NUMBER 20 P H Y S I C A L R E V I E W L E T T E R S 17 NOVEMBER 1997 Polarization-Based Calculation of the Dielectric Tensor of Polar Crystals
- arXiv:cond-mat/0203305v114Mar2002 Effective-Hamiltonian modeling of external pressures in ferroelectric perovskites
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- PHYSICAL REVIEW B 83, 235401 (2011) Computing topological invariants without inversion symmetry
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- Maximally localized Wannier functions for GW quasiparticles D. R. Hamann1,2 and David Vanderbilt1
- Magnetoelectric Polarizability and Axion Electrodynamics in Crystalline Insulators Andrew M. Essin,1
- Structural stability and lattice dynamics of SiO2 cristobalite Sinisa Coh* and David Vanderbilt
- Supplementary notes for "Electric displacement as the fundamental variable
- Fast molecular-dynamics simulation for ferroelectric thin-film capacitors using a first-principles effective Hamiltonian
- First-principles calculations of atomic and electronic structure of SrTiO3 (001) and (011) surfaces R. I. Eglitis and David Vanderbilt
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- First-principles study of polarization in Zn1-xMgxO Andrei Malashevich* and David Vanderbilt
- Suppressed Dependence of Polarization on Epitaxial Strain in Highly Polar Ferroelectrics Ho Nyung Lee,1,* Serge M. Nakhmanson,2,
- Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation Xinjie Wang,1 Jonathan R. Yates,2,3 Ivo Souza,2,3 and David Vanderbilt1
- Erratum: Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation [Phys. Rev. B 74, 195118 (2006)]
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- Ab initio study of BaTiO3 and PbTiO3 surfaces in external electric fields B. Meyer and David Vanderbilt
- VOLUME 84, NUMBER 24 P H Y S I C A L R E V I E W L E T T E R S 12 JUNE 2000 Compositional Inversion Symmetry Breaking in Ferroelectric Perovskites
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- VOLUME 82, NUMBER 16 P H Y S I C A L R E V I E W L E T T E R S 19 APRIL 1999 Thermal Contraction and Disordering of the Al(110) Surface
- Structure and apparent topography of TiO2,,110... surfaces Kwok-On Ng and David Vanderbilt
- Spontaneous polarization and piezoelectric constants of III-V nitrides Fabio Bernardini and Vincenzo Fiorentini
- VOLUME 79, NUMBER 7 P H Y S I C A L R E V I E W L E T T E R S 18 AUGUST 1997 Ensemble Density-Functional Theory for Ab Initio Molecular Dynamics
- VOLUME 79, NUMBER 2 P H Y S I C A L R E V I E W L E T T E R S 14 JULY 1997 Period-Doubled Structure for the 90 Partial Dislocation in Silicon
- Ab initio study of BaTiO 3 surfaces J. Padilla and David Vanderbilt
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- PHYSICAL REVIE%' B VOLUME 33, NUMBER 4 15 FEBRUARY 1986 Application of a general self-consistency scheme in the linear combination of atomic orbitals
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- European Physical Journal B 71, 345 (2009). First-principles theory of magnetically induced ferroelectricity in TbMnO3
- VOLUME 77, NUMBER 8 P H Y S I C A L R E V I E W L E T T E R S 19 AUGUST 1996 Structure, Barriers, and Relaxation Mechanisms of Kinks
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- arXiv:cond-mat/0301016v12Jan2003 First-principles Study of Electronic and Dielectric Properties of ZrO2 and HfO2
- VOLUME 81, NUMBER 6 P H Y S I C A L R E V I E W L E T T E R S 10 AUGUST 1998 Electrostatic Model of Atomic Ordering in Complex Perovskite Alloys
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- First-principles study of ,,BiScO3...1x-,,PbTiO3...x piezoelectric alloys Jorge In~iguez,1,
- First-principles theory of structural phase transitions in cubic perovskites David Vanderbilt
- Theoretical investigation of polarization-compensated II-IV/I-V perovskite superlattices amonn D. Murray and David Vanderbilt
- Lattice dielectric response of CdCu3Ti4O12 and CaCu3Ti4O12 from first principles Lixin He, J. B. Neaton, David Vanderbilt, and Morrel H. Cohen
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- VOLUME 79, NUMBER 20 P H Y S I C A L R E V I E W L E T T E R S 17 NOVEMBER 1997 Nonlocality of Kohn-Sham Exchange-Correlation Fields in Dielectrics
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- arXiv:cond-mat/010225414Feb2001 Low-temperature properties of Pb(Zr1-xTix)O3 solid solutions
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- PHYSICAL REVIEW B VOLUME 33, NUMBER 12 15 JUNE 1986 Theoretical study of the cohesive and structural properties
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