Publications

Found 355 results
Author Title Type [ Year(Asc)]
2010
Janotti A., Varley J.B, Rinke P., Umezawa N., Kresse G., Van de Walle C.G.  2010.  Hybrid functional studies of the oxygen vacancy in TiO2. Phys. Rev. B. 81:85212.
Oo W.MHlaing, Tabatabaei S., McCluskey M.D, Varley J.B, Janotti A., Van de Walle C.G.  2010.  Hydrogen donors in SnO2 studied by infrared spectroscopy and first-principles calculations. Phys. Rev. B. 82:193201.
Weber J.R, Janotti A., Van de Walle C.G.  2010.  Intrinsic and extrinsic causes of electron accumulation layers on InAs surfaces. Appl. Phys. Lett.. 97:192106.
Bousquet E, Spaldin N.  2010.  J dependence in the LSDA+U treatment of noncollinear magnets. Phys. Rev. B. 82:220402.
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3. Phys. Rev. Lett.. 105:87202.
Umezawa N, Shiraishi K.  2010.  Origin of high solubility of silicon in La2O3: A first-principles study. Appl. Phys. Lett.. 97:202906.
Varley J.B., Weber J.R., Janotti A., Van de Walle C.G..  2010.  Oxygen vacancies and donor impurities in beta-Ga2O3. Appl. Phys. Lett.. 97:142106.
Turner TL, Bourne EC, Von Wettberg EJ, Hu TT, Nuzhdin SV.  2010.  Population resequencing reveals local adaptation of Arabidopsis lyrata to serpentine soils. Nature Genetics. 42:260-263.
Soto-Verdugo V, Metiu H, Gwinn E.  2010.  The properties of small Ag clusters bound to DNA bases. J. Chem. Phys.. 132:195102.
Weber J.R., Koehl W.F., Varley J.B., Janotti A., Buckley B.B., Van de Walle C.G., Awschalom D.D..  2010.  Quantum Computing with Defects. Proc. Natl. Acad. Sci.. 107:8513.
Yan Q, Rinke P, Scheffler M, Van de Walle CG.  2010.  Role of strain in polarization switching in semipolar InGaN/GaN quantum wells. Appl. Phys. Lett.. 97:181102.
Bellesia G., Jewett A.I, Shea J.-E..  2010.  Sequence periodicity and secondary structure propensity in model proteins. Protein Science. 19:141.
Hatt AJ, Spaldin NA, Ederer C.  2010.  Strain-induced isosymmetric phase transition in BiFeO3. Phys. Rev. B. 81:54109.
Wei G, Jewett AI, Shea J-E.  2010.  Structural diversity of dimers of the Alzheimer amyloid-β(25–35) peptide and polymorphism of the resulting fibrils. Phys. Chem. Chem. Phys. 12:3622.
Hatt AJ, Spaldin NA.  2010.  Structural phases of strained LaAlO3 driven by octahedral tilt instabilities. Phys. Rev. B. 82:195402.
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Temperature-Dependent Magnetoelectric Effect from First Principles. Phys. Rev. Lett.. 105:87202.
Delaney KT, Spaldin NA, Van de Walle CG.  2010.  Theoretical Study of Schottky-Barrier Formation at Epitaxial Rare-Earth-Metal/Semiconductor Interfaces. Phys. Rev. B. 81:165312.
Bousquet E, Spaldin NA, Delaney KT.  2010.  Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity. Phys. Rev. Lett.. 106:107202.
Choudhury D., Venimadhav A., Kakarla C., Delaney KT.  2010.  Unusual dielectric response in B-site size-disordered hexagonal transition-metal oxides. Appl. Phys. Lett.. 96:162903.
2009
Murray M.M, Griffin-Krone M., Bernstein S.L, Baumketner A., Condron M.M, Lazo N.D, Teplow D.B, Wyttenbach T., Shea J.-E., Bowers J.MT.  2009.  Amyloid-beta-Protein: Experiment and Theory on the 21-30 Fragment. Phys. Chem. B. 113:6041.
Van de Walle CG, Pelesa A., Janottia A., Wilson-Short G.B..  2009.  Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B: Condensed Matter. 404(5-7):793.
Bellesia G, Shea J-E.  2009.  Diversity of kinetic pathways in amyloid fibril formation. J. Chem. Phys.. 131:111102.
Bellesia G, Shea J-E.  2009.  Effect of beta-sheet propensity on peptide aggregation.. J. Chem. Phys.. 130:145103.
Zhuang Z., Jewett A.I, Soto P., Shea J.E.  2009.  The effect of surface tethering on the folding of the src-SH3 protein domain. Phys. Biol.. 6:15004.
Umezawa N..  2009.  Effects of barium incorporation into HfO2 gate dielectrics on reduction in charged defects: First-principles study. Appl. Phys. Lett.. 94:22903.

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