J
Javier Junquera
Researcher at University of Cantabria
Publications - 117
Citations - 16890
Javier Junquera is an academic researcher from University of Cantabria. The author has contributed to research in topics: Ferroelectricity & Density functional theory. The author has an hindex of 36, co-authored 101 publications receiving 14037 citations. Previous affiliations of Javier Junquera include Queen's University Belfast & Rutgers University.
Papers
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The SIESTA method for ab initio order-N materials simulation
José M. Soler,Emilio Artacho,Julian D. Gale,Alberto García,Javier Junquera,Javier Junquera,Pablo Ordejón,Daniel Sánchez-Portal +7 more
TL;DR: In this paper, a selfconsistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical linear combination of atomic orbitals basis set, which includes multiple-zeta and polarization orbitals, was developed and implemented.
Journal ArticleDOI
Critical thickness for ferroelectricity in perovskite ultrathin films
Javier Junquera,Philippe Ghosez +1 more
TL;DR: It is shown that, contrary to current thought, BaTiO3 thin films between two metallic SrRuO3 electrodes in short circuit lose their ferro electric properties below a critical thickness of about six unit cells, suggesting the existence of a lower limit for the thickness of useful ferroelectric layers in electronic devices.
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Numerical atomic orbitals for linear-scaling calculations
TL;DR: In this paper, the performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules, with the aim of optimizing basis quality while maintaining strict localization of the orbitals, as needed for linear scaling calculations.
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The SIESTA method; developments and applicability.
Emilio Artacho,Emilio Artacho,Eduardo Anglada,Oswaldo Diéguez,Julian D. Gale,Alberto García,Javier Junquera,Richard M. Martin,Pablo Ordejón,J. M. Pruneda,Daniel Sánchez-Portal,José M. Soler +11 more
TL;DR: Recent developments in and around the SIESTA method of first-principles simulation of condensed matter are described and reviewed, with emphasis on the applicability of the method for large and varied systems.
Journal ArticleDOI
The SIESTA method for ab initio order-N materials simulation
José M. Soler,Emilio Artacho,Julian D. Gale,Alberto García,Javier Junquera,Javier Junquera,Pablo Ordejón,Daniel Sánchez-Portal +7 more
TL;DR: In this paper, a self-consistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical LCAO basis set, which includes multiple-zeta and polarization orbitals, was developed and implemented.