- T. Truttmann, J.-J. Zhou, I.-T. Lu, A. Rajapitamahuni, F. Liu, T. Mates, M. Bernardi, B. Jalan
Combined experimental-theoretical study of electron mobility-limiting mechanisms in SrSnO3.
Communications Physics 1, 241, (2021)
- H. Liu, I. Klein, J. Michelsen, S. Cushing
Element-specific electronic and structural dynamics using transient XUV and soft X-ray spectroscopy.
Chem 10, 2569-2584, (2021)
- I. Maliyov, J. Park, M. Bernardi
Ab initio electron dynamics in high electric fields: Accurate prediction of velocity-field curves.
Physical Review B 10, L100303, (2021)
- J.-J. Zhou, J. Park, I. Timrov, A. Floris, M. Cococcioni, N. Marzari, M. Bernardi
Ab Initio Electron-Phonon Interactions in Correlated Electron Systems.
Physical Review Letters 12, 126404, (2021)
- X. Qing, C. Zhang, J. Gong, S. Chen
Ab initio study of photoelectric properties in ZnO transparent conductive oxide.
Vacuum 191, 110391, (2021)
- T. Fan, A. Oganov
AICON2: A program for calculating transport properties quickly and accurately.
Computer Physics Communications 266, 108027, (2021)
- S. Mu, A. Rowberg, J. Leveillee, F. Giustino, C. Van de Walle
First-principles study of electron transport in ScN.
Physical Review B 7, 075118, (2021)
- R. Gupta, B. Dongre, J. Carrete, C. Bera
Thermoelectric properties of the SnS monolayer: Fully ab initio and accelerated calculations.
Journal of Applied Physics 5, 054301, (2021)
- B. Kozinsky, D. Singh
Thermoelectrics by Computational Design: Progress and Opportunities.
Annual Review of Materials Research 1, 565-590, (2021)
- M. Wais, K. Held, M. Battiato
Numerical solver for the time-dependent far-from-equilibrium Boltzmann equation.
Computer Physics Communications 264, 107877, (2021)
- N.-E. Lee, H.-Y. Chen, J.-J. Zhou, M. Bernardi
Facile ab initio approach for self-localized polarons from canonical transformations.
Physical Review Materials 6, 063805, (2021)
- S. Gao, H.-Y. Chen, M. Bernardi
Radiative properties of quantum emitters in boron nitride from excited state calculations and Bayesian analysis.
npj Computational Materials 1, 85, (2021)
- X. Tong, M. Bernardi
Toward precise simulations of the coupled ultrafast dynamics of electrons and atomic vibrations in materials.
Physical Review Research 2, 023072, (2021)
- A. Ganose, J. Park, A. Faghaninia, R. Woods-Robinson, K. Persson, A. Jain
Efficient calculation of carrier scattering rates from first principles.
Nature Communications 1, 2222, (2021)
- D. Desai, B. Zviazhynski, J.-J. Zhou, M. Bernardi
Magnetotransport in semiconductors and two-dimensional materials from first principles.
Physical Review B 16, L161103, (2021)
- A. Choi, P. Cheng, B. Hatanpää, A. Minnich
Electronic noise of warm electrons in semiconductors from first principles.
Physical Review Materials 4, 044603, (2021)
- Z. Gao, T. Zhu, K. Sun, J.-S. Wang
Highly Anisotropic Thermoelectric Properties of Two-Dimensional As2Te3.
ACS Applied Electronic Materials 4, 1610-1620, (2021)
- J. Lee, S. Zhang, D. Reichman
Constrained-path auxiliary-field quantum Monte Carlo for coupled electrons and phonons.
Physical Review B 11, 115123, (2021)
- A. Afzalian, E. Akhoundi, G. Gaddemane, R. Duflou, M. Houssa
Advanced DFT-NEGF Transport Techniques for Novel 2-D Material and Device Exploration Including HfS₂/WSe₂ van der Waals Heterojunction TFET and WTe₂/WS₂ Metal/Semiconductor Contact.
IEEE Transactions on Electron Devices 1-8, (2021)
- A. Balvanz, J. Qu, S. Baranets, E. Ertekin, P. Gorai, S. Bobev
New n-Type Zintl Phases for Thermoelectrics: Discovery, Structural Characterization, and Band Engineering of the Compounds A2CdP2 (A = Sr, Ba, Eu).
Chemistry of Materials 24, 10697-10707, (2020)
- T. Sohier, M. Gibertini, N. Marzari
Profiling novel high-conductivity 2D semiconductors.
2D Materials (2020)
- V. Jhalani, J.-J. Zhou, J. Park, C. Dreyer, M. Bernardi
Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN.
Physical Review Letters 13, 136602, (2020)
- J. Park, J.-J. Zhou, V. Jhalani, C. Dreyer, M. Bernardi
Long-range quadrupole electron-phonon interaction from first principles.
Physical Review B 12, 125203, (2020)
- H.-Y. Chen, D. Sangalli, M. Bernardi
Exciton-Phonon Interaction and Relaxation Times from First Principles.
Physical Review Letters 10, 107401, (2020)
- N.-E. Lee, J.-J. Zhou, H.-Y. Chen, M. Bernardi
Ab initio electron-two-phonon scattering in GaAs from next-to-leading order perturbation theory.
Nature Communications 1, 1607, (2020)
- I.-T. Lu, J. Park, J.-J. Zhou, M. Bernardi
Ab initio electron-defect interactions using Wannier functions.
npj Computational Materials 1, 17, (2020)
- J. Park, J.-J. Zhou, M. Bernardi
Spin-phonon relaxation times in centrosymmetric materials from first principles.
Physical Review B 4, 045202, (2020)
- J.-J. Zhou, M. Bernardi
Predicting charge transport in the presence of polarons: The beyond-quasiparticle regime in SrTiO3.
Physical Review Research 3, 033138, (2019)
- V. Jhalani, H.-Y. Chen, M. Palummo, M. Bernardi
Precise radiative lifetimes in bulk crystals from first principles: the case of wurtzite gallium nitride.
Journal of Physics: Condensed Matter 8, 084001, (2019)
- H.-Y. Chen, V. Jhalani, M. Palummo, M. Bernardi
Ab initio calculations of exciton radiative lifetimes in bulk crystals, nanostructures, and molecules.
Physical Review B 7, 075135, (2019)
- I.-T. Lu, J.-J. Zhou, M. Bernardi
Efficient ab initio calculations of electron-defect scattering and defect-limited carrier mobility.
Physical Review Materials 3, 033804, (2019)
- J.-J. Zhou, O. Hellman, M. Bernardi
Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in SrTiO3 Perovskite from First Principles.
Physical Review Letters 22, 226603, (2018)
- L. Agapito, M. Bernardi
Ab initio electron-phonon interactions using atomic orbital wave functions.
Physical Review B 23, 235146, (2018)
- H.-Y. Chen, M. Palummo, D. Sangalli, M. Bernardi
Theory and Ab Initio Computation of the Anisotropic Light Emission in Monolayer Transition Metal Dichalcogenides.
Nano Letters 6, 3839-3843, (2018)
- N.-E. Lee, J.-J. Zhou, L. Agapito, M. Bernardi
Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal.
Physical Review B 11, 115203, (2018)
- V. Jhalani, J.-J. Zhou, M. Bernardi
Ultrafast Hot Carrier Dynamics in GaN and Its Impact on the Efficiency Droop.
Nano Letters 8, 5012-5019, (2017)
- J.-J. Zhou, M. Bernardi
Ab initioelectron mobility and polar phonon scattering in GaAs.
Physical Review B 20, 201201, (2016)
Papers that used or cited Perturbo
Search over the site: