Search Results - "Materials Science"

Hydroxylated MgO (111) reconstructions: why the case for clean surfaces does not hold water by Ciston, J., Subramanian, A., Marks, L. D.

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Characteristics of Precession Electron Diffraction Intensities from Dynamical Simulations by Sinkler, W., Marks, L. D.

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Geometrical foundations of plasticity yield criteria: A unified theory by Luque, J. M., Campoamor-Stursberg, R.

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Peierls Instability in Carbon Nanotubes by Dumont, Guillaume, Boulanger, Paul, Côté, Michel, Ernzerhof, Matthias

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Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3 by Mostovoy, Maxim, Scaramucci, Andrea, Delaney, Kris T., Spaldin, Nicola A.

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Gallium interstitial contributions to diffusion in gallium arsenide by Schick, J. T., Morgan, C. G., Papoulias, P.

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Structure and properties of functional oxide thin films: Insights from electronic-structure calculations by Rondinelli, James M., Spaldin, Nicola A.

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Fully spin-dependent transport of triangular graphene flakes by Ono, Tomoya, Ota, Tadashi, Egami, Yoshiyuki

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Theoretical Design of a Shallow Donor in Diamond by Lithium-Nitrogen Codoping by Moussa, Jonathan E., Marom, Noa, Sai, Na, Chelikowsky, James R.

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Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space by Moussa, Jonathan E., Schultz, Peter A., Chelikowsky, James R.

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First-principles transport calculation method based on real-space finite-difference nonequilibrium Green's function scheme by Ono, Tomoya, Egami, Yoshiyuki, Hirose, Kikuji

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Simulation and modeling of the electronic structure of GaAs damage clusters by Moussa, Jonathan E., Foiles, Stephen M., Schultz, Peter A.

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Doping effect on thermoelectric properties of MoS$_2$ by Guo, Huaihong, Yang, Teng, Tao, Peng, Zhang, Zhidong

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Signature of Electron-magnon Umklapp Scattering in L10 FePt probed by Thermoelectric Measurements by Yan, Xiaoxian, Huai, Chang, Xing, Hui, Parry, James P., Yang, Yusen, Tang, Guoxiong, Yao, Chao, Hu, Guohan, Sabirianov, Renat, Zeng, Hao

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A density functional theory study of FeAs comparing LDA+U, GGA+U and hybrid functionals by Griffin, Sinéad M., Spaldin, Nicola A.

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A kinematic study of energy barriers to crack formation in graphene tilt boundaries by Daly, Matthew, Singh, Chandra Veer

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Nanograined half-Heusler semiconductors as advanced thermoelectrics: an ab-initio high-throughput statistical study by Carrete, Jesús, Mingo, Natalio, Wang, Shidong, Curtarolo, Stefano

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Electron-transport properties of ethyne-bridged diphenyl zinc-porphyrin molecules by Nguyen, Huy Duy, Ono, Tomoya

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Dynamical properties of ordered Fe-Pt alloys by Sternik, M., Couet, S., Łażewski, J., Jochym, P. T., Parlinski, K., Vantomme, A., Temst, K., Piekarz, P.

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Effect of edge dislocations on structural and electric properties of 4H-SiC by Łażewski, Jan, Jochym, Paweł T., Piekarz, Przemysław, Sternik, Małgorzata, Parlinski, Krzysztof, Cholewiński, Jan, Dłużewski, Paweł, Krukowski, Stanisław

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