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

Article

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

 Authorship: 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

Article

Nature Communications, 2023, 14(1), 4465

 Authorship: 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

Emergent ferroelectric switching behavior from polar vortex lattice

Article

Advanced Materials, 2023, 35(23), 2208367

 Authorship: PIUSH BEHERA, ERIC PARSONNET, FERNANDO GOMEZ ORTIZ, VISHANTAK SRIKRISHNA, PETER MEISENHEIMER, SANDHYA SUSARLA, PRAVIN KAVLE, LUCAS CARETTA, YONGJUN WU, ZISHEN TIAN, ABEL FERNANDEZ, LANE W. MARTIN, SUJIT DAS, FRANCISCO JAVIER JUNQUERA QUINTANA, ZIJIAN HONG, RAMAMOORTHY RAMESH

 01/06/2023

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

Article

Computer Physics Communications, 2023, 286, 108684

 Authorship: 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

Article

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

 Authorship: 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

Article

Nature Communications, 2023, 14, 1355

 Authorship: 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

Article

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

 Authorship: 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

Topological phases in polar oxide nanostructures

Article

Reviews of Modern Physics, 2023, 95(2), 025001

 Authorship: FRANCISCO JAVIER JUNQUERA QUINTANA, YOUSRA NAHAS, SERGEI PROKHORENKO, LAURENT BELLAICHE, JORGE ÍÑIGUEZ, DARRELL G. SCHLOM, LONG-QING CHEN, SAYEEF SALAHUDDIN, DAVID A. MULLER, LANE W. MARTIN, RAMESH R.

 01/04/2023

Excitonic features in the optical response of layered gallium sulphide

Conference object

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

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

 2023

Pressure effects on 3dn (n=4, 9) insulating compounds: long axis switch in Na3MnF6 not due to the Jahn-Teller effect

Article

Chemistry - A European Journal, 2022, 28(43), e202200948

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

 2022

Prediction of promising phase change materials candidates for active optical devices via DFT calculations

Conference object

META Proceedings, 2022, 679

 Authorship: DILSON JUAN, YAEL GUTIERREZ VELA, GONZALO SANTOS PERODIA, PABLO GARCIA FERNANDEZ, FRANCISCO JAVIER JUNQUERA QUINTANA, MARIA LOSURDO, FERNANDO MORENO GRACIA

 2022

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

Article

Desalination, 2022, 532, 115704

 Authorship: 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

Article

Nature Communications, 2022, 13, 1769

 Authorship: 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

Melting of crystals of polarization vortices and chiral phase transitions in oxide superlattices

Article

Physical Review B, 2022, 105, L220103

 Authorship: FERNANDO GOMEZ ORTIZ, PABLO GARCIA FERNANDEZ, JUAN MANUEL LOPEZ MARTIN, FRANCISCO JAVIER JUNQUERA QUINTANA

 15/06/2022

Interlaboratory study on Sb2S3 interplay between structure, dielectric function, and morphous-to-crystalline phase change for photonics

Article

iScience, 2022, 25(6), 104377

 Authorship: YAEL GUTIÉRREZ, ANNA P. OVVYAN, GONZALO SANTOS PERODIA, DILSON JUAN, SAUL ANTONIO ROSALES MENDOZA, FRANCISCO JAVIER JUNQUERA QUINTANA, PABLO GARCIA FERNANDEZ, STEFANO DICORATO, MARIA M. GIANGREGORIO, ELENA DILONARDO, FABIO PALUMBO, MIRCEA MODREANU, JOSEF RESL, OLGA ISHCHENKO, GUY GARRY, TIGERS JONUZI, MARIN GEORGHE, CORNEL COBIANU, FERNANDO MORENO GRACIA

 17/06/2022

Layered gallium sulfide optical properties from monolayer to CVD crystalline thin films

Article

Optics Express, 2022, 30(15), 27609-27622

 Authorship: YAEL GUTIÉRREZ, DILSON JUAN, STEFANO DICORATO, GONZALO SANTOS PERODIA, MATTHIAS DUWE, PETER H. THIESEN, MARIA M. GIANGREGORIO, FABIO PALUMBO, KURT HINGERL, CHRISTOPH COBET, PABLO GARCIA FERNANDEZ, FRANCISCO JAVIER JUNQUERA QUINTANA, FERNANDO MORENO GRACIA, MARIA LOSURDO

 14/07/2022

Berezinskii-Kosterlitz-Thouless phases in ultrathin PbTiO3/SrTiO3 superlattices

Article

Physical Review B, 2022, 106(13), 134106

 Authorship: FERNANDO GOMEZ ORTIZ, PABLO GARCIA FERNANDEZ, JUAN MANUEL LOPEZ MARTIN, FRANCISCO JAVIER JUNQUERA QUINTANA

 17/10/2022

Electric field control of chirality

Article

Science Advances, 2022, 8(1), eabj8030

 Authorship: PIUSH BEHERA, MOLLY A. MAY, FERNANDO GOMEZ ORTIZ, SANDHYA SUSARLA, SUJIT DAS, CHRISTOPHER T. NELSON, LUCAS CARETTA, SHANG-LIN HSU, MARGARET R. MCCARTER, BENJAMIN H. SAVITZKY, EDWARD S. BARNARD, ARCHANA RAJA, ZIJIAN HONG, PABLO GARCIA FERNANDEZ, STEPHEN W. LOVESEY, GERRIT VAN DER LAAN, PETER ERCIUS, COLIN OPHUS, LANE W. MARTIN, FRANCISCO JAVIER JUNQUERA QUINTANA

 05/01/2022

Structural chirality of polar skyrmions probed by resonant elastic x-ray scattering

Article

Physical Review Letters, 2022, 129(24), 247601

 Authorship: MARGARET R MCCARTER, KOOK TAE KIM, 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, STEPHEN W. LOVESEY, GERRIT VAN DER LAAN, SE YOUNG PARK, JOHN W. FREELAND, LANE W. MARTIN, DONG RYEOL LEE

 05/12/2022

Modeling of ferroelectric oxide perovskites: from first to second principles

Article

Annual Review of Condensed Matter Physics, 2022. 13, 325-364

 Authorship: PHILIPPE GHOSEZ, FRANCISCO JAVIER JUNQUERA QUINTANA

 2022

Order-disorder transitions in a polar vortex lattice

Article

Advanced Functional Materials, 2022, 32(22), 2111392

 Authorship: LINMING ZHOU, CHENG DAI, PETER MEISENHEIMER, SUJIT DAS, YONGJUN WU, FERNANDO GOMEZ ORTIZ, PABLO GARCIA FERNANDEZ, YUHUI UANG, FRANCISCO JAVIER JUNQUERA QUINTANA, LONG-QING CHEN, RAMAMOORTHY RAMESH, ZIJIAN HONG

 23/02/2022

Inherent spin-polarization coupling in a magnetoelectric vortex

Article

Nano Letters, 2022, 22(10), 3976-3982

 Authorship: SUJIT DAS, VALENTYN LAGUTA, KATHERINE INZANI, WEICHUAN HUANG, JUNJIE LIU, RUCHIRA CHATTERJEE, MARGARET R. MCCARTER, SANDHYA SUSARLA, ARZHANG ARDAVAN, FRANCISCO JAVIER JUNQUERA QUINTANA, SINÉAD M. GRIFFIN, RAMAMOORTHY RAMESH

 13/05/2022

Vortex Domain Walls in Ferroelectrics

Article

Nano Lett. 2021, 21 (8), 3533-3539

 Authorship: ZIJIAN HONG, SUJIT DAS, CHRISTOPHER NELSON, AJAY YADAV, YONGJUN WU, FRANCISCO JAVIER JUNQUERA QUINTANA, LONG-QING CHEN, LANE W. MARTIN, RAMAMOORTHY RAMESH

 28/04/2021

Atomic scale crystal field mapping of polar vortices in oxide superlattices

Article

Nature Communications, 2021, 12 (1), 6273

 Authorship: SANDHYA SUSARLA, PABLO GARCIA FERNANDEZ, COLIN OPHUS, SUJIT DAS, PABLO AGUADO PUENTE, MARGARET MCCARTER, PETER ERCIUS, LANE W. MARTIN, RAMAMOORTHY RAMESH, FRANCISCO JAVIER JUNQUERA QUINTANA

 01/11/2021

ECOSISTEMAS SIESTA DE TÉCNICAS DE SIMULACIÓN DE MATERIALES (SIESTA-UC) Proyecto PID2022-139776NB-C63 financiado por MICIU/AEI /10.13039/501100011033 y por FEDER, UE

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

Heads: FRANCISCO JAVIER JUNQUERA QUINTANA, PABLO GARCIA FERNANDEZ

Typology: Competitive national public projects

Start year: 2023

SIESTA Y SU INTEROPERABILIDAD PARA LOS NUEVOS RETOS EN SIMULACIONES ATOMISTICAS. Proyecto PGC2018-096955-B-C41 financiado por MCIN/ AEI /10.13039/501100011033/ FEDER "Una manera de hacer Europa"

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

Heads: FRANCISCO JAVIER JUNQUERA QUINTANA, PABLO GARCIA FERNANDEZ

Typology: Competitive national public projects

Start year: 2019

SPANISH INITIATIVE FOR ELECTRONIC SIMULATIONS WITH THOUSANDS OF ATOMS: CODIGO ABIERTO CON GARANTIA Y SOPORTE PROFESIONAL: SIESTA-PRO (RTC-2016-5681-7) (AEI/FEDER, UE)

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

Head: FRANCISCO JAVIER JUNQUERA QUINTANA

Typology: Competitive national public projects

Start year: 2016

SIESTA Y LA TEORIA DE INESTABILIDADES Y TRANSPORTE EN MATERIALES FUNCIONALES Y DE BAJA DIMENSIONALIDAD-UC (FIS2015-64886-C5-2-P) (MINECO/FEDER, UE)

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

Head: FRANCISCO JAVIER JUNQUERA QUINTANA

Typology: Competitive national public projects

Start year: 2016

SIMULACIONES ATOMÍSTICAS DE PRIMEROS PRINCIPIOS: METODOLOGÍA Y APLICACIONES A SISTEMAS COMPLEJOS (FIS2012-37549-C05-04)

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

Head: FRANCISCO JAVIER JUNQUERA QUINTANA

Typology: Competitive national public projects

Start year: 2013

Fases Topológicas en Intercaras de Óxidos Ferroeléctricos.

 Authorship: FERNANDO GOMEZ ORTIZ

 Supervision: FRANCISCO JAVIER JUNQUERA QUINTANA 

 Defense date: 12/09/2023

Estudio de óxidos ferróicos complejos por simulaciones de primer principio a gran escala

 Authorship: MAURO ANTONIO PEREIRA GONÇALVES

 Supervision: FRANCISCO JAVIER JUNQUERA QUINTANA , JORGE IÑIGUEZ GONZALES

 Defense date: 20/07/2020

Estudio desde Primeros Principios de Mecanismos de Apantallado del Campo de Depolarización en Condensadores Nanométricos

 Authorship: PABLO AGUADO PUENTE

 Supervision: FRANCISCO JAVIER JUNQUERA QUINTANA 

 Defense date: 21/09/2011

DFT calculated dielectric tensor Sb2S3

Dataset

 DOI: 10.5281/zenodo.7612373

 Authorship: DILSON JUAN, YAEL GUTIERREZ VELA, MARIA LOSURDO, PABLO GARCIA FERNANDEZ, FRANCISCO JAVIER JUNQUERA QUINTANA

 2023

Dieletric function crystalline 2H-GaS

Dataset

 DOI: 10.5281/zenodo.6607596

 Authorship: YAEL GUTIERREZ VELA, DILSON JUAN, STEFANO DICORATO, GONZALO SANTOS PERODIA, MATTHIAS DUWE, PETER H. THISEN, MICHELARIA GIANGREGORIO, FABIO PALUMBO, KURT HINGERL, CHRISTOPH COBER, PABLO GARCIA FERNANDEZ, FRANCISCO JAVIER JUNQUERA QUINTANA, FERNANDO MORENO GRACIA, MARIA LOSURDO

 2022