Miguel A. Caro
Title
Cited by
Cited by
Year
Piezoelectric coefficients and spontaneous polarization of ScAlN
MA Caro, S Zhang, T Riekkinen, M Ylilammi, MA Moram, ...
Journal of Physics: Condensed Matter 27 (24), 245901, 2015
1582015
Atomistic analysis of the impact of alloy and well-width fluctuations on the electronic and optical properties of InGaN/GaN quantum wells
S Schulz, MA Caro, C Coughlan, EP O'Reilly
Physical Review B 91 (3), 035439, 2015
1002015
Machine Learning Interatomic Potentials as Emerging Tools for Materials Science
VL Deringer, MA Caro, G Csányi
Advanced Materials 31 (46), 1902765, 2019
932019
Theory of local electric polarization and its relation to internal strain: Impact on polarization potential and electronic properties of group-III nitrides
MA Caro, S Schulz, EP O’Reilly
Physical Review B 88 (21), 214103, 2013
882013
Hybrid carbon based nanomaterials for electrochemical detection of biomolecules
T Laurila, S Sainio, MA Caro
Progress in Materials Science 88, 499-594, 2017
842017
Orbital-free density functional theory implementation with the projector augmented-wave method
J Lehtomäki, I Makkonen, MA Caro, A Harju, O Lopez-Acevedo
The Journal of Chemical Physics 141 (23), 234102, 2014
722014
Growth Mechanism and Origin of High Content in Tetrahedral Amorphous Carbon
MA Caro, VL Deringer, J Koskinen, T Laurila, G Csányi
Physical Review Letters 120 (16), 166101, 2018
702018
Symmetry-adapted calculations of strain and polarization fields in (111)-oriented zinc-blende quantum dots
S Schulz, MA Caro, EP O’Reilly, O Marquardt
Physical Review B 84 (12), 125312, 2011
612011
Structural, electronic, and optical properties of m-plane InGaN/GaN quantum wells: Insights from experiment and atomistic theory
S Schulz, DP Tanner, EP O'Reilly, MA Caro, TL Martin, PAJ Bagot, ...
Physical Review B 92 (23), 235419, 2015
592015
Composition-Dependent Band Gap and Band-Edge Bowing in AlInN: A Combined Theoretical and Experimental Study
S Schulz, MA Caro, LT Tan, PJ Parbrook, RW Martin, EP O'Reilly
Applied Physics Express 6 (12), 121001, 2013
502013
Reactivity of amorphous carbon surfaces: rationalizing the role of structural motifs in functionalization using machine learning
MA Caro, A Aarva, VL Deringer, G Csányi, T Laurila
Chemistry of Materials 30 (21), 7446-7455, 2018
392018
Origin of nonlinear piezoelectricity in III-V semiconductors: Internal strain and bond ionicity from hybrid-functional density functional theory
MA Caro, S Schulz, EP O'Reilly
Physical Review B 91 (7), 075203, 2015
392015
Atomic and electronic structure of tetrahedral amorphous carbon surfaces from density functional theory: Properties and simulation strategies
MA Caro, R Zoubkoff, O Lopez-Acevedo, T Laurila
Carbon 77, 1168, 2014
392014
Electron transport determines the electrochemical properties of tetrahedral amorphous carbon (ta-C) thin films
T Palomäki, N Wester, MA Caro, S Sainio, V Protopopova, J Koskinen, ...
Electrochimica Acta 225, 1-10, 2017
372017
Band gap bowing and optical polarization switching in Al Ga N alloys
C Coughlan, S Schulz, MA Caro, EP O'Reilly
physica status solidi (b) 252 (5), 879-884, 2015
372015
Hybrid functional study of the elastic and structural properties of wurtzite and zinc-blende group-III nitrides
MA Caro, S Schulz, EP O’Reilly
Physical Review B 86 (1), 014117, 2012
372012
Comparison of stress and total energy methods for calculation of elastic properties of semiconductors
MA Caro, S Schulz, EP O’Reilly
Journal of Physics: Condensed Matter 25 (2), 025803, 2013
362013
Computational Surface Chemistry of Tetrahedral Amorphous Carbon by Combining Machine Learning and Density Functional Theory
VL Deringer, MA Caro, R Jana, A Aarva, SR Elliott, T Laurila, G Csányi, ...
Chemistry of Materials 30 (21), 7438-7445, 2018
342018
Correlation between sp3-to-sp2 Ratio and Surface Oxygen Functionalities in Tetrahedral Amorphous Carbon (ta-C) Thin Film Electrodes and Implications of Their Electrochemical …
S Sainio, D Nordlund, MA Caro, R Gandhiraman, J Koehne, N Wester, ...
The Journal of Physical Chemistry C 120 (15), 8298-8304, 2016
342016
Built-in field control in alloyed c-plane III-N quantum dots and wells
MA Caro, S Schulz, SB Healy, EP O’Reilly
Journal of Applied Physics 109, 084110, 2011
332011
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Articles 1–20