Items where Subject is "F321 Solid state Physics"

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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

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 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

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

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

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

DFT+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

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

Density Functional Theory

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

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

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, 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

Excited State Dynamics

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

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

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

Hubbard correction

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

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

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

LI0.5FE2.5-XCRXO4

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

Light-emitting diode

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

Magnesium diboride

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

Magnetic field sensors

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

Magnetic flux quantum

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

Materials Science

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

Materials modelling

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

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

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

Nanowire

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

Non -thermal

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

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

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

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

Nuclear magnetic resonance (NMR)

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

OXIDES

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

Open source software

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

POWDER

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

Parallel Computation

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

Phase Transition

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

Phonons

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

Qauntum Dots

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

SHS

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

Scanning Probe Microscope

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

Second 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

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

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

Superconducting devices

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

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

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

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

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

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

Theory of moments

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

Thin films

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

Transient Absorption Spectroscopy

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

Zero-field NMR

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

density functional perturbation theory

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

density functional theory

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

electron detection

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

electron-phonon interaction

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

flux-flow-oscillators

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

free software

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

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

materials science

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

microelectronics

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

minimal access surgery

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

phonons

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

solid-state semiconductor

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

strongly correlated materials

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

strongly correlated systems

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

supercoductivity

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

superconducting flux-flow-oscillators

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

ultrasoft pseudopotentials

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

vibrational properties

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

This list was generated on Fri Dec 3 11:36:53 2021 GMT.