Chiara Ricca

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All published works

Action	Title	Year	Authors
+ PDF Chat	Ferrimagnetism induced by thermal vibrations in oxygen-deficient manganite heterostructures	2024	Moloud Kaviani Chiara Ricca Ulrich Aschauer
+	Conversion of La$_2$Ti$_2$O$_7$ to LaTiO$_2$N via Ammonolysis: An ab-initio Investigation	2023	Chiara Ricca Tristan Blandenier Valérie Werner Xing Wang Simone Pokrant Ulrich Aschauer
+ PDF Chat	Conversion of La<sub>2</sub>Ti<sub>2</sub>O<sub>7</sub> to LaTiO<sub>2</sub>N <i>via</i> ammonolysis: a first-principles investigation	2023	Chiara Ricca Tristan Blandenier Valérie Werner Xing Wang Simone Pokrant Ulrich Aschauer
+	Combined theoretical and experimental study of the Moiré dislocation network at the SrTiO$_3$-(La,Sr)(Al,Ta)O$_3$ interface	2023	Chiara Ricca Elizabeth Skoropata Marta D. Rossell Rolf Erni U. Staub Ulrich Aschauer
+ PDF Chat	Photochemical anisotropy and direction-dependent optical absorption in semiconductors	2022	Chiara Ricca Ulrich Aschauer
+ PDF Chat	Interplay between polarization, strain, and defect pairs in Fe-doped <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrMnO</mml:mi><mml:mrow><mml:mn>3</mml:mn><mml:mo>−</mml:mo><mml:mi>δ</mml:mi></mml:mrow></mml:msub></mml:math>	2021	Chiara Ricca Ulrich Aschauer
+	Interplay between polarization, strain and defect-pairs in Fe-doped SrMnO$_{3-\delta}$	2021	Chiara Ricca Ulrich Aschauer
+	Ferroelectricity promoted by cation/anion divacancies in SrMnO$_3$	2021	Chiara Ricca Danielle Berkowitz Ulrich Aschauer
+ PDF Chat	Ferroelectricity promoted by cation/anion divacancies in SrMnO<sub>3</sub>	2021	Chiara Ricca Danielle Berkowitz Ulrich Aschauer
+	Ferroelectricity promoted by cation/anion divacancies in SrMnO$_3$	2021	Chiara Ricca Danielle Berkowitz Ulrich Aschauer
+	Importance of surface oxygen vacancies for ultrafast hot carrier relaxation and transport in Cu$_2$O	2021	Chiara Ricca Lisa Grad Matthias Hengsberger Jürg Osterwalder Ulrich Aschauer
+ PDF Chat	Local polarization in oxygen-deficient <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>La</mml:mi><mml:mi>Mn</mml:mi><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:math> induced by charge localization in the Jahn-Teller distorted structure	2020	Chiara Ricca Nicolas Niederhauser Ulrich Aschauer
+ PDF Chat	Self-consistent <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>DFT</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi><mml:mo>+</mml:mo><mml:mi>V</mml:mi></mml:mrow></mml:math> study of oxygen vacancies in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>	2020	Chiara Ricca Iurii Timrov Matteo Cococcioni Nicola Marzari Ulrich Aschauer
+ PDF Chat	Self-consistent site-dependent DFT+ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math> study of stoichiometric and defective <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrMnO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>	2019	Chiara Ricca Iurii Timrov Matteo Cococcioni Nicola Marzari Ulrich Aschauer

Common Coauthors

Coauthor	Papers Together
Ulrich Aschauer	14
Tristan Blandenier	2
Simone Pokrant	2
Danielle Berkowitz	2
Iurii Timrov	2
Nicola Marzari	2
Matteo Cococcioni	2
Elizabeth Skoropata	1
Valérie Werner	1
Moloud Kaviani	1
Matthias Hengsberger	1
Nicolas Niederhauser	1
U. Staub	1
Xing Wang	1
Xing Wang	1
Marta D. Rossell	1
Valérie Werner	1
Danielle Berkowitz	1
Jürg Osterwalder	1
Lisa Grad	1
Rolf Erni	1

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ PDF Chat	QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials	2009	Paolo Giannozzi Stefano Baroni Nicola Bonini Matteo Calandra Roberto Car Carlo Cavazzoni Davide Ceresoli G. Chiarotti Matteo Cococcioni Ismaïla Dabo	6
+ PDF Chat	Advanced capabilities for materials modelling with Quantum ESPRESSO	2017	Paolo Giannozzi Oliviero Andreussi Thomas Brumme O. Bunău Marco Buongiorno Nardelli Matteo Calandra Roberto Car Carlo Cavazzoni Davide Ceresoli Matteo Cococcioni	6
+ PDF Chat	Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces	2008	John P. Perdew Adrienn Ruzsinszky Gábor I. Csonka Oleg A. Vydrov Gustavo E. Scuseria Lucian A. Constantin Xiaolan Zhou Kieron Burke	6
+ PDF Chat	Structure and Properties of Functional Oxide Thin Films: Insights From Electronic‐Structure Calculations	2011	James M. Rondinelli Nicola A. Spaldin	4
+ PDF Chat	First-principles calculations of the electronic structure and spectra of strongly correlated systems: dynamical mean-field theory	1997	В. И. Анисимов A. I. Poteryaev M. A. Korotin A. O. Anokhin Gabriel Kotliar	4
+ PDF Chat	Hubbard parameters from density-functional perturbation theory	2018	Iurii Timrov Nicola Marzari Matteo Cococcioni	4
+ PDF Chat	Self-consistent site-dependent DFT+ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math> study of stoichiometric and defective <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrMnO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>	2019	Chiara Ricca Iurii Timrov Matteo Cococcioni Nicola Marzari Ulrich Aschauer	4
+ PDF Chat	Interplay between strain, defect charge state, and functionality in complex oxides	2016	Ulrich Aschauer Nicola A. Spaldin	4
+ PDF Chat	Strain-controlled oxygen vacancy formation and ordering in CaMnO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:msub></mml:math>	2013	Ulrich Aschauer Reto Pfenninger Sverre M. Selbach Tor Grande Nicola A. Spaldin	4
+ PDF Chat	Coupling and competition between ferroelectricity, magnetism, strain, and oxygen vacancies in AMnO3 perovskites	2016	Astrid Marthinsen Carina Faber Ulrich Aschauer Nicola A. Spaldin Sverre M. Selbach	3
+ PDF Chat	Epitaxial-Strain-Induced Multiferroicity in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>SrMnO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>from First Principles	2010	Jun Hee Lee Karin M. Rabe	3
+ PDF Chat	Defect ordering and defect–domain-wall interactions in PbTiO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:msub></mml:math>: A first-principles study	2013	Anand Chandrasekaran Dragan Damjanović N. Setter Nicola Marzari	3
+	First principles phonon calculations in materials science	2015	Atsushi Togo Isao Tanaka	2
+ PDF Chat	Spin-phonon coupling effects in transition-metal perovskites: A DFT + <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>U</mml:mi></mml:math>and hybrid-functional study	2012	Jiawang Hong Alessandro Stroppa Jorge Íñiguez Silvia Picozzi David Vanderbilt	2
+ PDF Chat	VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code	2021	Vei Wang Nan Xu Jincheng Liu Gang Tang W. T. Geng	2
+ PDF Chat	Localized electronic states induced by defects and possible origin of ferroelectricity in strontium titanate thin films	2009	Y. S. Kim J. Kim Seung-Jae Moon Woo Seok Choi Young Jun Chang J.‐G. Yoon Jaejun Yu J.-S. Chung Tae Won Noh	2
+ PDF Chat	Effect of Epitaxial Strain on the Spontaneous Polarization of Thin Film Ferroelectrics	2005	Claude Ederer Nicola A. Spaldin	2
+ PDF Chat	Projector augmented-wave method	1994	Peter E. Blöchl	2
+ PDF Chat	First-principles prediction of redox potentials in transition-metal compounds with<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:mrow></mml:math>	2004	Fei Zhou Matteo Cococcioni Chris A. Marianetti Dane Morgan Gerbrand Ceder	1
+ PDF Chat	Reformulation of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">LDA</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:math>method for a local-orbital basis	1998	Warren E. Pickett Steven C. Erwin E. C. Ethridge	1
+ PDF Chat	Electron correlation and magnetism at the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi mathvariant="normal">La</mml:mi><mml:mi mathvariant="normal">Al</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>/<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi mathvariant="normal">Sr</mml:mi><mml:mi mathvariant="normal">Ti</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>…	2014	Frank Lechermann Lewin Boehnke Daniel Grieger Christoph Piefke	1
+ PDF Chat	First-Principles Atomistic Thermodynamics for Oxidation Catalysis: Surface Phase Diagrams and Catalytically Interesting Regions	2003	Karsten Reuter Matthias Scheffler	1
+ PDF Chat	Effects of oxygen-reducing atmosphere annealing on LaMnO<sub>3</sub>epitaxial thin films	2009	Woo Seok Choi Zsolt Marton Seung Yup Jang Seung-Jae Moon Byung‐Chul Jeon Junho Shin S. S. A. Seo Tae Won Noh Kim Myung-Whun Ho Nyung Lee	1
+ PDF Chat	Coexistence of trapped and free excess electrons in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>	2015	Xianfeng Hao Zhiming Wang Michael Schmid Ulrike Diebold Cesare Franchini	1
+ PDF Chat	Simulation of Heme Using DFT + U: A Step toward Accurate Spin-State Energetics	2007	Damián A. Scherlis Matteo Cococcioni Patrick H.‐L. Sit Nicola Marzari	1
+	Successes and failures of Hubbard-corrected density functional theory: The case of Mg doped LiCoO2	2014	Juan A. Santana Jeongnim Kim Paul R. C. Kent Fernando A. Reboredo	1
+ PDF Chat	Tuning the electronic effective mass in double-doped<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SrTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>	2011	Jayakanth Ravichandran Wolter Siemons Matthew L. Scullin Subroto Mukerjee Mark Huijben Joel E. Moore Arun Majumdar R. Ramesh	1
+ PDF Chat	Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:msub></mml:math>	2013	Jun Hee Lee Kris T. Delaney Éric Bousquet Nicola A. Spaldin Karin M. Rabe	1
+ PDF Chat	Effect of quantum fluctuations on structural phase transitions in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SrTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">BaTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></…	1996	W. L. Zhong David Vanderbilt	1
+ PDF Chat	Projector self-consistent<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mtext>DFT</mml:mtext><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:mrow></mml:math>using nonorthogonal generalized Wannier functions	2010	David D. O’Regan Nicholas D. M. Hine M. C. Payne Arash A. Mostofi	1
+ PDF Chat	A beginner's guide to the modern theory of polarization	2012	Nicola A. Spaldin	1
+ PDF Chat	Complexity in Strongly Correlated Electronic Systems	2005	E. Dagotto	1
+ PDF Chat	Dichotomy of the electronic structure and superconductivity between single-layer and double-layer FeSe/SrTiO3 films	2014	Xu Liu Li D Wenhao Zhang Jun-Feng He Lin Zhao Shaolong He Daixiang Mou Fangsen Li Chenjia Tang Zhi Li	1
+ PDF Chat	Effect of epitaxial strain on cation and anion vacancy formation in MnO	2015	Ulrich Aschauer Nathalie Vonrüti Nicola A. Spaldin	1
+ PDF Chat	‘Ferroelectric’ metals reexamined: fundamental mechanisms and design considerations for new materials	2016	Nicole A. Benedek Turan Birol	1
+ PDF Chat	Effect of intrinsic point defects on ferroelectric polarization behavior of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>	2017	Konstantin Klyukin Vitaly Alexandrov	1
+	Origin and evolution of ferroelectricity in the layered rare-earth-titanate,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si210.svg"><mml:mrow><mml:msub><mml:mrow><mml:mi>R</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Ti2O7, Carpy-Galy phases	2019	Maribel Núñez Valdez Nicola A. Spaldin	1
+	Highly accurate prediction of material optical properties based on density functional theory	2019	Mitsutoshi Nishiwaki Hiroyuki Fujiwara	1
+ PDF Chat	Local polarization in oxygen-deficient <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>La</mml:mi><mml:mi>Mn</mml:mi><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:math> induced by charge localization in the Jahn-Teller distorted structure	2020	Chiara Ricca Nicolas Niederhauser Ulrich Aschauer	1
+ PDF Chat	Review on ferroelectric/polar metals	2020	W. X. Zhou Ariando Ariando	1
+ PDF Chat	Self-consistent <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>DFT</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi><mml:mo>+</mml:mo><mml:mi>V</mml:mi></mml:mrow></mml:math> study of oxygen vacancies in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>	2020	Chiara Ricca Iurii Timrov Matteo Cococcioni Nicola Marzari Ulrich Aschauer	1
+ PDF Chat	Growth mode control of the free carrier density in SrTiO3−δ films	2007	Akira Ohtomo H. Y. Hwang	1
+	Localized versus itinerant states created by multiple oxygen vacancies in SrTiO<sub>3</sub>	2015	Harald O. Jeschke Juan Shen Roser Valentí	1
+ PDF Chat	Energetics and cathode voltages of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Li</mml:mi><mml:mi>M</mml:mi><mml:msub><mml:mi>PO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math> olivines ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>M</mml:mi><mml:mo>=</mml:mo><mml:mi>Fe</mml:mi></mml:mrow></mml:math> , Mn) from extended Hubbard functionals	2019	Matteo Cococcioni Nicola Marzari	1
+ PDF Chat	Ferroelectricity promoted by cation/anion divacancies in SrMnO<sub>3</sub>	2021	Chiara Ricca Danielle Berkowitz Ulrich Aschauer	1
+ PDF Chat	Photoinduced infrared absorption in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>(</mml:mo><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">La</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mi>−</mml:mi><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Sr</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mi mathvariant="normal">Mn</mml:mi><mml:mrow><…	2000	T. Mertelj Danjela Kuščer Marija Kosec D. Mihailović	1
+	Ferroelectricity promoted by cation/anion divacancies in SrMnO$_3$	2021	Chiara Ricca Danielle Berkowitz Ulrich Aschauer	1
+ PDF Chat	Conversion of La<sub>2</sub>Ti<sub>2</sub>O<sub>7</sub> to LaTiO<sub>2</sub>N <i>via</i> ammonolysis: a first-principles investigation	2023	Chiara Ricca Tristan Blandenier Valérie Werner Xing Wang Simone Pokrant Ulrich Aschauer	1
+ PDF Chat	Specific heat and magnetic order in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">LaMnO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn><mml:mo>+</mml:mo><mml:mi>δ</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>	1999	L. Ghivelder Iván Castillo M. A. Gusmão J. A. Alonso L. F. Cohen	1
+	Electronic Reconstruction at<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>SrMnO</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mtext mathvariant="normal">−</mml:mtext><mml:msub><mml:mi>LaMnO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>Superlattice Interfaces	2007	S. Smadici Peter Abbamonte Anand Bhattacharya Xiaofang Zhai Bin Jiang Andrivo Rusydi J. N. Eckstein S. D. Bader Jian‐Min Zuo	1