C. Patrick

发表

GW quasiparticle bandgaps of anatase TiO2 starting from DFT + U

F. Giustino, C. Patrick, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

Ab initio calculations of the phase behavior and subsequent magnetostriction of Fe1−xGax within the disordered local moment picture

C. Patrick, George A. Marchant, Christopher D. Woodgate, 2021, Physical Review B.

Quantum nuclear dynamics in the photophysics of diamondoids

F. Giustino, C. Patrick, 2013, Nature Communications.

Field-induced canting of magnetic moments in GdCo5 at finite temperature: first-principles calculations and high-field measurements

George Rowlands, John Singleton, Geetha Balakrishnan, 2018, Journal of physics. Condensed matter : an Institute of Physics journal.

Rare-earth/transition-metal magnets at finite temperature: Self-interaction-corrected relativistic density functional theory in the disordered local moment picture

Julie B. Staunton, Christopher E. Patrick, C. Patrick, 2018, Physical Review B.

Calculating the Magnetic Anisotropy of Rare-Earth-Transition-Metal Ferrimagnets.

Geetha Balakrishnan, C. Patrick, J. Staunton, 2018, Physical review letters.

O 1s core-level shifts at the anatase TiO 2 (101)/N3 photovoltaic interface: Signature of H-bonded supramolecular assembly

Feliciano Giustino, Christopher E. Patrick, F. Giustino, 2011 .

GW quasiparticle band structures of stibnite, antimonselite, bismuthinite, and guanajuatite

F. Giustino, C. Patrick, Marina R. Filip, 2013, 1301.6571.

Anharmonic stabilization and band gap renormalization in the perovskite CsSnI 3

K. Jacobsen, K. Thygesen, C. Patrick, 2015, 1510.06152.

Quantifying temperature-induced magnetic disorder effects on the anisotropy of MnBi

C. Patrick, 2022, Physical Review B.

Spin orientation and magnetostriction of Tb 1-x Dy x Fe 2 from ﬁrst principles

C. Patrick, 2020 .

Spin Orientation and Magnetostriction of Tb1−xDyxFe2 from First Principles

C. Patrick, George A. Marchant, J. Staunton, 2020, Physical Review Applied.

Crucial role of Fe in determining the hard magnetic properties of Nd$_2$Fe$_{14}$B

C. Patrick, J. Staunton, J. Bouaziz, 2023, 2301.02868.

Crucial role of Fe in determining the hard magnetic properties of Nd2Fe14

C. Patrick, J. Staunton, J. Bouaziz, 2023, Physical Review B.

Structural and magnetic properties of GdCo5−xNix

C. Patrick, J. Staunton, M. Lees, 2019, Physical Review Materials.

Structural and Electronic Properties of Semiconductor‐Sensitized Solar‐Cell Interfaces

F. Giustino, C. Patrick, 2011 .

TiO2 anatase with a bandgap in the visible region.

F. Giustino, K. Kern, C. Patrick, 2014, Nano letters.

Crystal field coefficients for yttrium analogues of rare-earth/transition-metal magnets using density-functional theory in the projector-augmented wave formalism

C. Patrick, J. Staunton, 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles calculations of the magnetocrystalline anisotropy of the prototype 2:17 cell boundary phaseYCo1-x-yFexCuy5

C. Patrick, J. Staunton, M. Matsumoto, 2019, Journal of Magnetism and Magnetic Materials.

Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(Fe$_x$Si$_{1-x}$)$_{13}$

C. Patrick, J. Staunton, T. Hickel, 2023, 2302.06484.

Temperature-dependent spin polarization of Heusler Co2MnSi from the disordered local-moment approach: Effects of atomic disordering and nonstoichiometry

C. Patrick, J. Staunton, Y. Miura, 2020, Physical Review B.

Temperature-dependent magnetocrystalline anisotropy of rare earth/transition metal permanent magnets from first principles: The light RCo5 (R=Y, La-Gd) intermetallics

Julie B. Staunton, Christopher E. Patrick, C. Patrick, 2019, Physical Review Materials.

Ab initio calculations of temperature-dependent magnetostriction of Fe and A2Fe1−xGax within the disordered local moment picture

C. Patrick, George A. Marchant, J. Staunton, 2019, Physical Review B.

Beyond the RPA and GW methods with adiabatic xc-kernels for accurate ground state and quasiparticle energies

A. Ruzsinszky, K. Thygesen, C. Patrick, 2019, npj Computational Materials.

Accurate ground state- and quasiparticle energies: beyond the RPA and GW methods with adiabatic exchange-correlation kernels

A. Ruzsinszky, K. Thygesen, C. Patrick, 2019, 1906.07825.

Torque magnetometry study of the spin reorientation transition and temperature-dependent magnetocrystalline anisotropy in NdCo5

C. Patrick, J. Staunton, M. Lees, 2020, Journal of physics. Condensed matter : an Institute of Physics journal.

Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids-The renormalized ALDA and electron gas kernels.

Kristian S Thygesen, K. Thygesen, C. Patrick, 2015, The Journal of chemical physics.

Tunability of the spin reorientation transitions with pressure in NdCo5

C. Patrick, J. Staunton, M. Lees, 2020, Applied Physics Letters.

Unified theory of electron–phonon renormalization and phonon-assisted optical absorption

F. Giustino, C. Patrick, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Atomic-scale observation of multiconformational binding and energy level alignment of ruthenium-based photosensitizers on TiO2 anatase.

F. Giustino, K. Kern, C. Patrick, 2014, Nano letters.

Picoperovskites: The Smallest Conceivable Isolated Halide Perovskite Structures Formed within Carbon Nanotubes

Q. Ramasse, C. Patrick, R. Walton, 2022, Advanced materials.

Quantitative analysis of valence photoemission spectra and quasiparticle excitations at chromophore-semiconductor interfaces.

F. Giustino, C. Patrick, 2012, Physical review letters.

Ion‐Charged Dielectric Nanolayers for Enhanced Surface Passivation in High Efficiency Photovoltaic Devices

Mingzhe Yu, P. Altermatt, C. Patrick, 2023, Advanced Materials Interfaces.

Stochastic Approach to Phonon-Assisted Optical Absorption.

F. Giustino, C. Patrick, M. Zacharias, 2015, Physical review letters.

Extracting band-tail interface state densities from measurements and modelling of space charge layer resistance

Mingzhe Yu, P. Altermatt, C. Patrick, 2021 .

Structure of a Water Monolayer on the Anatase TiO 2 (101) Surface

Feliciano Giustino, Christopher E. Patrick, F. Giustino, 2014, 1607.07992.

Simple vertex correction improves GW band energies of bulk and two-dimensional crystals

K. Thygesen, C. Patrick, P. S. Schmidt, 2017, 1711.02922.

Frustrated magnetism and caloric effects in Mn-based antiperovskite nitrides: Ab initio theory

J. Zemen, C. Patrick, J. Staunton, 2016, 1609.03515.

TiO2 anatase with a bandgap in the visible region.

F. Giustino, K. Kern, C. Patrick, 2014, Nano letters.

Rare-earth/transition-metal magnetic interactions in pristine and (Ni,Fe)-doped YCo5 and GdCo5

C. Patrick, J. Staunton, M. Lees, 2017, 1708.00288.

Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(Fe x Si 1−x )13

C. Patrick, J. Staunton, T. Hickel, 2023, Journal of Physics: Energy.

Field-induced canting of magnetic moments in GdCo5 at finite temperature: first-principles calculations and high-field measurements

C. Patrick, G. Rowlands, J. Staunton, 2018, Journal of physics. Condensed matter : an Institute of Physics journal.

Calculating the Magnetic Anisotropy of Rare-Earth-Transition-Metal Ferrimagnets.

C. Patrick, J. Staunton, M. Lees, 2018, Physical review letters.

Atomic-scale observation of multiconformational binding and energy level alignment of ruthenium-based photosensitizers on TiO2 anatase.

F. Giustino, K. Kern, C. Patrick, 2014, Nano letters.