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PABLO GARCIA FERNANDEZ

Publicaciones
107
Proyectos
8
Tesis
3
Datasets
5

pablo.garciafernandez@unican.es

Facultad de Ciencias. Avda. de los Castros, 48. 39005 Santander

Catedrático de Universidad

Doctor por la Universidad de Cantabria

Física Teórica De La Materia Condensada

DEPARTAMENTO DE CIENCIAS DE LA TIERRA Y FÍSICA DE LA MATERIA CONDENSADA

Áreas de especialidad: FISICA DE LA MATERIA CONDENSADA

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107 resultados

1 de 5

Software interoperability in electronic structure methods for atomistic materials simulations

Artículo de Revista

Computational Materials Science, 2026, 273, 114900

Autoría: JESÚS CARRETE, PABLO GARCIA FERNANDEZ, MYRTA GRÜNING, XU HE, MIKE N. PIONTECK, NAKIB H. PROTIK, MILICA TODOROVIC, ATSUSHI TOGO, XING WANG, ROBERTA POLONI, MIGUEL PRUNEDA, ANTONIO CAMMARATA

25/08/2026

Structural and electronic properties of bulk Li2O2: first-principles simulations based on numerical atomic orbitals

Artículo de Revista

Journal of Physics Condensed Matter, 2025, 37(16), 165502

Autoría: PAUL M. MASANJA, TORAYA FERNÁNDEZ RUIZ, ESTHER J. TARIMO, NAYARA CARRAL SAINZ, P. V. KANAKA RAO, VIJAY SINGH, BERNARD MWANKEMWA, JUAN MARIA GARCIA LASTRA, PABLO GARCIA FERNANDEZ, FRANCISCO JAVIER JUNQUERA QUINTANA

14/03/2025

Magnetic superexchange and mott insulator mechanisms in cubic perovskites: from first-principles to canonical models

Artículo de Revista

Inorganic Chemistry, 2025, 64(26), 13217-13223

Autoría: INES SANCHEZ DE MOVELLAN SAIZ, TORAYA FERNÁNDEZ RUIZ, RICHARD DRONSKOWSKI, ÁNGEL MARTÍN-PENDÁS, PABLO GARCIA FERNANDEZ, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA

01/06/2025

Book review-Electronic structure and properties of transition metal compounds -- theory and applications (third edition) Isaac B. Bersuker and Yang Liu. John Willey & Sons, Inc., Hoboken, New Jersey, 2025, 826 + xxxvi pp;ISBN 9781394178896 (hardback); 9781394178902 (adobe pdf); 9781394178919 (epub)

Artículo de Revista

Coordination Chemistry Reviews, 2025, 544, 216994

Autoría: PABLO GARCIA FERNANDEZ

2025

Systematic generation of electron models for second-principles density functional theory methods

Artículo de Revista

Physical Review B, 2025, 112(15), 1551461-15514623

Autoría: NAYARA CARRAL SAINZ, TORAYA FERNÁNDEZ RUIZ, JORGE ÍÑIGUEZ-GONZÁLEZ, FRANCISCO JAVIER JUNQUERA QUINTANA, PABLO GARCIA FERNANDEZ

01/10/2025

Extension of second-principles density functional theory into the time domain

Artículo de Revista

Physical Review B, 2025, 112(23), 235109

Autoría: TORAYA FERNÁNDEZ RUIZ, JORGE ÍÑIGUEZ GONZÁLEZ, FRANCISCO JAVIER JUNQUERA QUINTANA, PABLO GARCIA FERNANDEZ

01/12/2025

Dynamics of the electron-hole separation of the fundamental exciton in LiF

Artículo de Revista

Physical Review B, 2025, 112(5), 054308

Autoría: TORAYA FERNÁNDEZ RUIZ, PABLO GARCIA FERNANDEZ, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS, STEEN LYSGAARD, JUAN MARIA GARCIA LASTRA

01/08/2025

Interlayer coupling controlled ordering and phases in polar vortex superlattices

Artículo de Revista

Nano Letters, 2024, 24 (10), 2972 - 2979

Autoría: PETER MEISENHEIMER, ARUNDHATI GHOSAL, ERIC HOGLUND, ZHIYANG WANG, PIUSH BEHERA, FERNANDO GOMEZ ORTIZ, PRAVIN KAVLE, EVGUENIA KARAPETROVA, PABLO GARCIA FERNANDEZ, LANE W. MARTIN, ARCHANA RAJA, LONG-QING CHEN, PATRICK E. HOPKINS, FRANCISCO JAVIER JUNQUERA QUINTANA, RAMAMOORTHY RAMESH

01/03/2024

Unveiling polymorphs and polytypes of the 2D layered semiconducting gallium monosulfide

Artículo de Revista

Advanced Optical Materials, 2024, 12(15), 2303002

Autoría: YAEL GUTIERREZ VELA, FILIPPO AGRESTI, DILSON JUAN, MARIA MICHELA GIANGREGORIO, FERNANDO MORENO GRACIA, PABLO GARCIA FERNANDEZ, FRANCISCO JAVIER JUNQUERA QUINTANA

28/05/2024

Many-body model for the cooperative Jahn-Teller effect in crystals and its associated orbital ordering

Artículo de Revista

Physical Review B, 2024, 109(20), 205150

Autoría: TORAYA FERNÁNDEZ RUIZ, INES SANCHEZ DE MOVELLAN SAIZ, JUAN MARIA GARCIA LASTRA, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, PABLO GARCIA FERNANDEZ

01/05/2024

Understanding pressure effects on structural, optical, and magnetic properties of CsMnF4 and other 3dn compounds

Artículo de Revista

Inorganic Chemistry, 2024, 63(29), 13231-13243

Autoría: GUILLERMO SANTAMARIA FERNANDEZ, TORAYA FERNÁNDEZ RUIZ, JUAN MARIA GARCIA LASTRA, PABLO GARCIA FERNANDEZ, INES SANCHEZ DE MOVELLAN SAIZ, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA

01/07/2024

Strain-phonon cooperation as a necessary ingredient to understand the Jahn-Teller effect in solids

Artículo de Revista

Journal of Physical Chemistry Letters, 2024, 15(25), 6476-6481

Autoría: TORAYA FERNÁNDEZ RUIZ, INES SANCHEZ DE MOVELLAN SAIZ, JUAN MARIA GARCIA LASTRA, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, PABLO GARCIA FERNANDEZ

01/06/2024

Internal electric fields and structural instabilities in insulating transition metal compounds: influence on optical properties

Artículo de Revista

ChemPhotoChem, 2024, 8(12), e202400024

Autoría: INES SANCHEZ DE MOVELLAN SAIZ, PABLO GARCIA FERNANDEZ, JUAN MARIA GARCIA LASTRA, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

01/12/2024

Transferring orbital angular momentum to an electron beam reveals toroidal and chiral order

Artículo de Revista

Physical Review B, 2023, 107(20), 205419

Autoría: K. X. NGUYEN, Y. JIANG, M. C. CAO, P. PUROHIT, A. K. YADAV, PABLO GARCIA FERNANDEZ, M. W. TATE, C. S. CHANG, PABLO AGUADO PUENTE, J. ÍÑIGUEZ, FERNANDO GOMEZ ORTIZ, S. M. GRUNER, FRANCISCO JAVIER JUNQUERA QUINTANA, L. W. MARTIN, R. RAMESH, D. A. MULLER

01/05/2023

The emergence of three-dimensional chiral domain walls in polar vortices

Artículo de Revista

Nature Communications, 2023, 14(1), 4465

Autoría: SANDHYA SUSARLA, SHANGLIN HSU, FERNANDO GOMEZ ORTIZ, PABLO GARCIA FERNANDEZ, BENJAMIN H. SAVITZKY, SUJIT DAS, PIUSH BEHERA, FRANCISCO JAVIER JUNQUERA QUINTANA, PETER ERCIUS, RAMAMOORTHY RAMESH, COLIN OPHUS

01/12/2023

Compatibility of DFT+U with non-collinear magnetism and spin-orbit coupling within a framework of numerical atomic orbitals

Artículo de Revista

Computer Physics Communications, 2023, 286, 108684

Autoría: FERNANDO GOMEZ ORTIZ, NAYARA CARRAL SAINZ, JAMES SIFUNA, VIRGINIA MONTESEGURO PADRON, RAMÓN CUADRADO, PABLO GARCIA FERNANDEZ, FRANCISCO JAVIER JUNQUERA QUINTANA

01/05/2023

Kittel law and domain formation mechanism in PbTiO3/SrTiO3 superlattices

Artículo de Revista

Physical Review B, 2023, 107(17), 174102

Autoría: FERNANDO GOMEZ ORTIZ, HUGO ARAMBERRI, JUAN MANUEL LOPEZ MARTIN, PABLO GARCIA FERNANDEZ, JORGE ÍÑIGUEZ, FRANCISCO JAVIER JUNQUERA QUINTANA

01/05/2023

Emergent chirality in a polar meron to skyrmion phase transition

Artículo de Revista

Nature Communications, 2023, 14, 1355

Autoría: YU-TSUN SHAO, SUJIT DAS, ZIJIAN HONG, RUIJUAN XU, SWATHI CHANDRIKA, FERNANDO GOMEZ ORTIZ, PABLO GARCIA FERNANDEZ, LONG-QING CHEN, HAROLD Y. HWANG, FRANCISCO JAVIER JUNQUERA QUINTANA, LANE W. MARTIN, RAMAMOORTHY RAMESH, DAVID A. MULLER

01/12/2023

Pure chiral polar vortex phase in PbTiO3/SrTiO3 superlattices with tunable circular dichroism

Artículo de Revista

Nano Letters, 2023, 23(14), 6602-6609

Autoría: SUJIT DAS, MARGARET R. MCCARTER, FERNANDO GOMEZ ORTIZ, YUN-LONG TANG, ZIJIAN HONG, PADRAIC SHAFER, PABLO GARCIA FERNANDEZ, FRANCISCO JAVIER JUNQUERA QUINTANA, LANE W. MARTIN, RAMAMOORTHY RAMESH

01/07/2023

Strain-induced ferromagnetic to antiferromagnetic crossover in d9-Ion (Cu2+ and Ag2+)-layered perovskites

Artículo de Revista

Journal of Physical Chemistry C, 2023, 127(17), 8332 - 8341

Autoría: INES SANCHEZ DE MOVELLAN SAIZ, MIGUEL MORENO MAS, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, PABLO GARCIA FERNANDEZ

01/05/2023

Understanding the local structure, magnetism, and optical properties in layered compounds with d9 ions: insight into silver fluorides and K2CuF4

Artículo de Revista

Journal of Physical Chemistry C, 2023, 127(33), 16695-16708

Autoría: INES SANCHEZ DE MOVELLAN SAIZ, GUILLERMO SANTAMARIA FERNANDEZ, PABLO GARCIA FERNANDEZ, JOSE ANTONIO ARAMBURU-ZABALA HIGUERA, MIGUEL MORENO MAS

01/08/2023

Excitonic features in the optical response of layered gallium sulphide

Comunicación a Congreso

2023 International Semiconductor Conference (CAS 2023 proceedings): 46th edition, October 11-13, 2023, Sinaia, Romania

Autoría: DILSON JUAN, YAEL GUTIERREZ VELA, PABLO GARCIA FERNANDEZ, FRANCISCO JAVIER JUNQUERA QUINTANA, MARIA LOSURDO, FERNANDO MORENO GRACIA

2023

Selective extraction of lithium from seawater desalination concentrates: study of thermodynamic and equilibrium properties using Density Functional Theory (DFT)

Artículo de Revista

Desalination, 2022, 532, 115704

Autoría: RAUL COTERILLO RUISANCHEZ, LIEN ESTER GALLART TAULER, ELENA FERNANDEZ-ESCALANTE BARQUIN, FRANCISCO JAVIER JUNQUERA QUINTANA, PABLO GARCIA FERNANDEZ, INMACULADA ORTIZ URIBE, RAQUEL IBAÑEZ MENDIZABAL, MARIA FRESNEDO SAN ROMAN SAN EMETERIO

15/06/2022

Chiral structures of electric polarization vectors quantified by X-ray resonant scattering

Artículo de Revista

Nature Communications, 2022, 13, 1769

Autoría: KOOK TAE KIM, MARGARET R. MCCARTER, VLADIMIR A. STOICA, SUJIT DAS, CHRISTOPH KLEWE, ELIZABETH P. DONOWAY, DAVID M. BURN, PADRAIC SHAFER, FANNY RODOLAKIS, MAURO A. P. GONÇALVES, FERNANDO GOMEZ ORTIZ, JORGE ÍÑIGUEZ, PABLO GARCIA FERNANDEZ, FRANCISCO JAVIER JUNQUERA QUINTANA, SANDHYA SUSARLA, STEPHEN W. LOVESEY, GERRIT VAN DER LAAN, SE YOUNG PARK, LANE W. MARTIN, JOHN W. FREELAND

05/04/2022

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PABLO GARCIA FERNANDEZ

Identificadores

Software interoperability in electronic structure methods for atomistic materials simulations

Structural and electronic properties of bulk Li2O2: first-principles simulations based on numerical atomic orbitals

Magnetic superexchange and mott insulator mechanisms in cubic perovskites: from first-principles to canonical models

Book review-Electronic structure and properties of transition metal compounds -- theory and applications (third edition) Isaac B. Bersuker and Yang Liu. John Willey & Sons, Inc., Hoboken, New Jersey, 2025, 826 + xxxvi pp;ISBN 9781394178896 (hardback); 9781394178902 (adobe pdf); 9781394178919 (epub)

Systematic generation of electron models for second-principles density functional theory methods

Extension of second-principles density functional theory into the time domain

Dynamics of the electron-hole separation of the fundamental exciton in LiF

Interlayer coupling controlled ordering and phases in polar vortex superlattices

Unveiling polymorphs and polytypes of the 2D layered semiconducting gallium monosulfide

Many-body model for the cooperative Jahn-Teller effect in crystals and its associated orbital ordering

Understanding pressure effects on structural, optical, and magnetic properties of CsMnF4 and other 3dn compounds

Strain-phonon cooperation as a necessary ingredient to understand the Jahn-Teller effect in solids

Internal electric fields and structural instabilities in insulating transition metal compounds: influence on optical properties

Transferring orbital angular momentum to an electron beam reveals toroidal and chiral order

The emergence of three-dimensional chiral domain walls in polar vortices

Compatibility of DFT+U with non-collinear magnetism and spin-orbit coupling within a framework of numerical atomic orbitals

Kittel law and domain formation mechanism in PbTiO3/SrTiO3 superlattices

Emergent chirality in a polar meron to skyrmion phase transition

Pure chiral polar vortex phase in PbTiO3/SrTiO3 superlattices with tunable circular dichroism

Strain-induced ferromagnetic to antiferromagnetic crossover in d9-Ion (Cu2+ and Ag2+)-layered perovskites

Understanding the local structure, magnetism, and optical properties in layered compounds with d9 ions: insight into silver fluorides and K2CuF4

Excitonic features in the optical response of layered gallium sulphide

Selective extraction of lithium from seawater desalination concentrates: study of thermodynamic and equilibrium properties using Density Functional Theory (DFT)

Chiral structures of electric polarization vectors quantified by X-ray resonant scattering