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Items where Subject is "F321 Solid state Physics"

JACS Subject (31)
- F Physical Sciences (31)
  - F321 Solid state Physics (31)

Group by: Creators | Keywords | Item Type

Ab initio and DFT calculations Ab initio structural calculations Ab-initio computation BA CO Chemical Physics CoO Computational modelling Condensed Matter Physics Copper Indium Disulfide Crystal defects DFPT+U DFT+U Density Functional Theory Density functional theory Electric field Electromagnetic radiation Exact exchange Excited State Dynamics Excited-state properties Fourth moment High temperature superconductors Hubbard correction Hybrid density functional theory Illumination JCOpen LI0.5FE2.5-XCRXO4 Light-emitting diode Magnesium diboride Magnetic field sensors Magnetic flux quantum Materials Science Materials modelling Microelectronics Molecular dynamics Nanoscience Nanowire Non -thermal NotOAChecked Nuclear magnetic resonance (NMR) OXIDES Open source software POWDER Parallel Computation Phase Transition Phonons Qauntum Dots SHS Scanning Probe Microscope Second moment Self-assembly Silicon devices Superconducting density functional theory Superconducting devices Superconductivity Superconductor Superconductors Surface Science Theoretical spectroscopy Theory of moments Thin films Tight binding Transient Absorption Spectroscopy Zero-field NMR charge transfer crystal defects density functional perturbation theory density functional theory electron detection electron-phonon interaction flux-flow-oscillators free software magnetic materials materials science microelectronics minimal access surgery phonons semiconductor solid-state semiconductor strongly correlated materials strongly correlated systems supercoductivity superconducting flux-flow-oscillators ultrasoft pseudopotentials vibrational properties

Number of items at this level: 108.

Ab initio and DFT calculations

Andreussi, Oliviero, Brumme, Thomas, Bunau, Oana, Buongiorno Nardelli, Marco, Calandra, Matteo, Car, Roberto, Cavazzoni, Carlo, Ceresoli, Davide, Cococcioni, Matteo, Colonna, Nicola, Carnimeo, Ivan, Dal Corso, Andrea, de Gironcoli, Stefano, Delugas, Pietro, DiStasio, Robert, Ferretti, Andrea, Floris, Andrea, Fratesi, Guido, Fugallo, Giorgia, Gebauer, Ralph, Gerstmann, Uwe, Giustino, Feliciano, Gorni, Tommaso, Jia, Junteng, Kawamura, Mitsuaki, Ko, Hsin-Yu, Kokalj, Anton, Küçükbenli, Emine, Lazzeri, Michele, Marsili, Margherita, Marzari, Nicola, Mauri, Francesco, Nguyen, Ngoc Linh, Nguyen, Huy-Viet, Otero-de-la-Roza, Alberto, Paulatto, Lorenzo, Poncé, Samuel, Giannozzi, Paolo, Rocca, Dario, Sabatini, Riccardo, Santra, Biswajit, Schlipf, Martin, Seitsonen, Ari Paavo, Smogunov, Alexander, Timrov, Iurii, Thonhauser, Timo, Umari, Paolo, Vast, Nathalie, Wu, Xifan and Baroni, Stefano (2017) Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter . ISSN 0953-8984

Ab initio structural calculations

Ab-initio computation

Continenza, A., Profeta, G., Floris, A., Franchini, C., Massidda, S., Lathiotakis, N. N., Marques, M. A. L., Lüders, M. and Gross, E. K. U. (2005) Ab-initio computation of superconducting properties of elemental superconductors and MgB2. Journal of Superconductivity, 18 (5-6). pp. 649-652. ISSN 0896-1107

BA

Spiers, Hayley, Parkin, Ivan P., Pankhurst, Quentin A., Affleck, Louise, Green, Mark, Caruana, D. J., Kuznetsov, Maxim V., Yao, Jun, Vaughan, Gavin, Terry, Ann and Kvick, Ake (2004) Self propagating high temperature synthesis of magnesium zinc ferrites (MgxZn1-xFe2O3): thermal imaging and time resolved X-ray diffraction experiments. Journal of Materials Chemistry, 14 (7). pp. 1104-1111. ISSN 0959-9428

CO

Chemical Physics

Para, Frank, Bocquet, Frank, Nony, Laurent, Loppacher, Christian, Féron, Michel, Cherioux, Fréderic, Gao, David Z., Canova, Filippo Federici and Watkins, Matthew (2018) Micrometre-long covalent organic fibres by photoinitiated chain-growth radical polymerization on an alkali-halide surface. Nature Chemistry, 10 (11). pp. 1112-1117. ISSN 1755-4330

CoO

Zhou, Jin-Jian, Park, Jinsoo, Timrov, Iurii, Floris, Andrea, Cococcioni, Matteo, Marzari, Nicola, Bernardi, Marco and UNSPECIFIED (2021) Ab initio electron-phonon interactions in correlated electron systems. Physical Review Letters, 127 . p. 126404. ISSN 0031-9007

Computational modelling

Watkins, Matthew (2018) Effect of electric field on migration of defects in oxides: Vacancies and interstitials in bulk MgO. Physical Review B, 98 (6). ISSN 2469-9950

Condensed Matter Physics

Yim, C. M., Watkins, Matthew, Wolf, M. J., Pang, C. L., Hermansson, K. and Thornton, G. (2016) Engineering polarons at a metal oxide surface. Physical Review Letters, 117 (11). pp. 64021-64025. ISSN 0031-9007

Copper Indium Disulfide

Kraatz, Ingvar, Booth, Matthew, Whittaker, Benjamin, Nix, Michael and Critchley, Kevin (2014) Sub-bandgap emission and intraband defect-related excited-state dynamics in colloidal CuInS2/ZnS quantum dots revealed by femtosecond pump–dump–probe spectroscopy. The Journal of Physical Chemistry C, 118 (41). pp. 24102-24109. ISSN 1932-7447

Crystal defects

Watkins, Matthew (2018) Relation between image charge and potential alignment corrections for charged defects in periodic boundary conditions. The Journal of Chemical Physics, 149 (2). 024103-1. ISSN 0021-9606

DFPT+U

Floris, Andrea, Timrov, I., Himmetoglu, B., Marzari, N., de Gironcoli, S. and Cococcioni, M. (2020) Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials. Physical Review B, 101 (6). ISSN 2469-9950

DFT+U

Density Functional Theory

Density functional theory

Kühne, Thomas D., Iannuzzi, Marcella, Del Ben, Mauro, Rybkin, Vladimir V., Seewald, Patrick, Stein, Frederick, Laino, Teodoro, Khaliullin, Rustam Z., Schütt, Ole, Schiffmann, Florian, Golze, Dorothea, Wilhelm, Jan, Chulkov, Sergey, Bani-Hashemian, Mohammad Hossein, Weber, Valéry, Borštnik, Urban, Taillefumier, Mathieu, Jakobovits, Alice Shoshana, Lazzaro, Alfio, Pabst, Hans, Müller, Tiziano, Schade, Robert, Guidon, Manuel, Andermatt, Samuel, Holmberg, Nico, Schenter, Gregory K., Hehn, Anna, Bussy, Augustin, Belleflamme, Fabian, Tabacchi, Gloria, Glöß, Andreas, Lass, Michael, Bethune, Iain, Mundy, Christopher J., Plessl, Christian, Watkins, Matthew, VandeVondele, Joost, Krack, Matthias and Hutter, Jürg (2020) CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics, 152 (19). p. 194103. ISSN 0021-9606

Electric field

Watkins, Matthew (2018) Effect of electric field on migration of defects in oxides: Vacancies and interstitials in bulk MgO. Physical Review B, 98 (6). ISSN 2469-9950

Electromagnetic radiation

Chesca, Boris, Gaifullin, Marat, John, Daniel, Cox, Jonathan, Savel'ev, Sergey and Mellor, Christopher (2022) The influence of magnetic vortices motion on the inverse ac Josephson effect in asymmetric arrays. Applied Physics Letters, 121 (16). p. 162601. ISSN 0003-6951

Chesca, Boris, John, Daniel, Gaifullin, Marat, Cox, Jonathan, Murphy, Aidan, Savel'ev, Sergey and Mellor, Christopher J. (2020) Magnetic flux quantum periodicity of the frequency of the on-chip detectable electromagnetic radiation from superconducting flux-flow-oscillators. Applied Physics Letters, 117 (14). p. 142601. ISSN 0003-6951

Exact exchange

Hehn, Anna-Sophia, Sertcan, Beliz, Belleflamme, Fabian, Chulkov, Sergey, Watkins, Matthew and Hutter, Jürg (2022) Excited-state properties for extended systems: Efficient hybrid density functional methods. Journal of Chemical Theory and Computation, 18 (7). ISSN 1549-9618

Excited State Dynamics

Excited-state properties

Fourth moment

Cutsuridis, Vassilis and Kahol, Pawan K. (2008) Derivation and evaluation of the fourth moment of NMR lineshape in zero-field. Solid State Nuclear Magnetic Resonance, 34 (3). pp. 191-195. ISSN 0926-2040

High temperature superconductors

Hubbard correction

Hybrid density functional theory

Illumination

Lee, Alex C H, Elson, Daniel S, Neil, Mark A, Kumar, Sunil, Ling, Bingo Wing-Kuen, Ello, Fernando and Hanna, George (2009) Solid-state semiconductors are better alternatives to arc-lamps for efficient and uniform illumination in minimal access surgery. Surgical Endoscopy, 23 (3). pp. 518-526. ISSN 0930-2794

JCOpen

Himmetoglu, Burak, Floris, Andrea, de Gironcoli, Stefano and Cococcioni, Matteo (2014) Hubbard-corrected DFT energy functionals: the LDA+U description of correlated systems. International Journal of Quantum Chemistry, 114 (1). pp. 14-49. ISSN 0020-7608

LI0.5FE2.5-XCRXO4

Light-emitting diode

Magnesium diboride

Magnetic field sensors

Magnetic flux quantum

Materials Science

Materials modelling

Microelectronics

Watkins, Matthew (2018) Effect of electric field on migration of defects in oxides: Vacancies and interstitials in bulk MgO. Physical Review B, 98 (6). ISSN 2469-9950

Molecular dynamics

Murphy, Samuel T., Daraszewicz, Szymon L., Giret, Yvelin, Watkins, Matthew, Shluger, Alexander L., Tanimura, Katsumi and Duffy, Dorothy M. (2015) Dynamical simulations of an electronically induced solid-solid phase transformation in tungsten. Physical Review B, 92 (13). ISSN 1098-0121

Nanoscience

Nanowire

Non -thermal

NotOAChecked

El-Sayed, Al-Moatasem, Watkins, Matthew B., Grasser, Tibor, Afanas’ev, Valery V. and Shluger, Alexander L. (2015) Hydrogen-induced rupture of strained Si─O bonds in amorphous silicon dioxide. Physical Review Letters, 114 (11). p. 115503. ISSN 0031-9007

Nuclear magnetic resonance (NMR)

OXIDES

Open source software

POWDER

Parallel Computation

Phase Transition

Phonons

Qauntum Dots

SHS

Scanning Probe Microscope

Second moment

Self-assembly

Abdurakhmanova, Nasiba, Floris, Andrea, Tseng, Tzu-Chun, Comisso, Alessio, Stepanow, Sebastian, De Vita, Alessandro and Kern, Klaus (2012) Stereoselectivity and electrostatics in charge-transfer Mn- and Cs-TCNQ4 networks on Ag(100). Nature Communications, 3 . p. 940. ISSN 2041-1723

Silicon devices

Matheson, J., Moldovan, G., Kirkland, A., Allinson, N. and Abrahams, J. P. (2017) Testing and comparison of imaging detectors for electrons in the energy range 10–20 keV. Journal of Instrumentation, 12 (11). C11016. ISSN 1748-0221

Superconducting density functional theory

Superconducting devices

Superconductivity

Bersier, C., Floris, A., Cudazzo, P., Profeta, G., Sanna, A., Bernardini, F., Monni, M., Pittalis, S., Sharma, S., Glawe, H., Continenza, A., Massidda, S. and Gross, E. K. U. (2009) Multiband superconductivity in Pb, H under pressure and CaBeSi from ab initio calculations. Journal of Physics: Condensed Matter, 21 (16). p. 164209. ISSN 0953-8984

Cudazzo, P., Profeta, G., Sanna, A., Floris, A., Continenza, A., Massidda, S. and Gross, E. K. U. (2008) Ab initio description of high-temperature superconductivity in dense molecular hydrogen. Physical Review Letters, 100 (25). ISSN 0031-9007

Floris, A., Sanna, A., Lüders, M., Profeta, G., Lathiotakis, N.N., Marques, M.A.L., Franchini, C., Gross, E.K.U., Continenza, A. and Massidda, S. (2007) Superconducting properties of MgB2 from first principles. Physica C: Superconductivity, 456 (1-2). pp. 45-53. ISSN 0921-4534

Massidda, S., Bernardini, F., Bersier, C., Continenza, A., Cudazzo, P., Floris, A., Glawe, H., Monni, M., Pittalis, S., Profeta, G., Sanna, A., Sharma, S. and Gross, E. K. U. (2009) The role of Coulomb interaction in the superconducting properties of CaC6and H under pressure. Superconductor Science and Technology, 22 (3). 034006. ISSN 0953-2048

Monni, M., Pallecchi, I., Ferdeghini, C., Ferrando, V., Floris, A., Galleani d'Agliano, E., Lehmann, E., Sheikin, I., Tarantini, C., Xi, X. X., Massidda, S. and Putti, M. (2008) Probing the electron-phonon coupling in MgB2 through magnetoresistance measurements in neutron irradiated thin films. EPL (Europhysics Letters), 81 (6). p. 67006. ISSN 0295-5075

Pittalis, S., Proetto, C. R., Floris, A., Sanna, A., Bersier, C., Burke, K. and Gross, E. K. U. (2011) Exact conditions in finite-temperature density-functional theory. Physical Review Letters, 107 (16). ISSN 0031-9007

Profeta, G., Franchini, C., Lathiotakis, N. N., Floris, A., Sanna, A., Marques, M. A. L., Lüders, M., Massidda, S., Gross, E. K. U. and Continenza, A. (2006) Superconductivity in lithium, potassium, and aluminum under extreme pressure: a first-principles study. Physical Review Letters, 96 (4). ISSN 0031-9007

Superconductor

Superconductors

Floris, A., Profeta, G., Lathiotakis, N. N., Lüders, M., Marques, M. A. L., Franchini, C., Gross, E. K. U., Continenza, A. and Massidda, S. (2005) Superconducting properties of MgB2 from first principles. Physical Review Letters, 94 (3). ISSN 0031-9007

Surface Science

Theoretical spectroscopy

Theory of moments

Thin films

Tight binding

Transient Absorption Spectroscopy

Zero-field NMR

charge transfer

Dickens, Christopher, Kinsella, Adam O. J., Watkins, Matt and Booth, Matthew (2022) The Presence of Charge Transfer Defect Complexes in Intermediate Band CuAl1−pFepS2. Crystals, 12 (12). p. 1823. ISSN 2073-4352

crystal

defects

density functional perturbation theory

density functional theory

electron detection

electron-phonon interaction

flux-flow-oscillators

free software

magnetic materials

Bernardini, Fabio, Boeri, Lilia, Floris, Andrea, Franchini, Cesare, Profeta, Gianni and Sanna, Antonio (2019) Preface Special Issue on novel superconducting and magnetic materials. Journal of Physics: Condensed Matter, 32 (4). ISSN 0953-8984

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