selected scholarly activity
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academic article
- Length-Gauge Optical Matrix Elements in WIEN2k. Computation. 10:22-22. 2022
- WloopPHI: A tool for ab initio characterization of Weyl semimetals. Computer Physics Communications. 270:108147-108147. 2022
- Perturbation approach to ab initio effective mass calculations. Computer Physics Communications. 261:107648-107648. 2021
- Band alignment of monolayer CaP3, CaAs3, BaAs3 and the role of p–d orbital interactions in the formation of conduction band minima. Physical Chemistry Chemical Physics. 23:7418-7425. 2021
- Giant spontaneous Hall effect in a nonmagnetic Weyl–Kondo semimetal. Proceedings of the National Academy of Sciences of the United States of America. 118:e2013386118. 2021
- Rashba band splitting in two-dimensional Ruddlesden–Popper halide perovskites. Journal of Applied Physics. 128:175101-175101. 2020
- Deciphering the Role of Key Defects in Sb2Se3, a Promising Candidate for Chalcogenide-Based Solar Cells. ACS Applied Energy Materials. 3:2496-2509. 2020
- Electronic properties of Pb-I deficient lead halide perovskites. Journal of Chemical Physics. 151:234704-234704. 2019
- Pressure dependence of direct optical transitions in ReS2 and ReSe2. npj 2D Materials and Applications. 3. 2019
- Electronic band structure of nitrogen diluted Ga(PAsN): Formation of the intermediate band, direct and indirect optical transitions, and localization of states. Journal of Applied Physics. 126:175701-175701. 2019
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Exploration of the bright and dark exciton landscape and fine structure of
- Stacking defects in GaP nanowires: Electronic structure and optical properties. Journal of Applied Physics. 126:084306-084306. 2019
- Unraveling the Water Degradation Mechanism of CH3NH3PbI3. Journal of Physical Chemistry C. 123:19385-19394. 2019
- Structural dynamics in hybrid halide perovskites: Bulk Rashba splitting, spin texture, and carrier localization. Physical Review Materials. 2. 2018
- μSR study of spin freezing and persistent spin dynamics in NaCaNi2F7. Journal of Physics Condensed Matter. 30:385802-385802. 2018
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μsR study of spin freezing and persistent spin dynamics in NaCaNi
2 F7 . Journal of Physics Condensed Matter. 30:385802. 2018 - Adsorption of Maleic Acid Monomer on the Surface of Hydroxyapatite and TiO2: A Pathway toward Biomaterial Composites. ACS applied materials & interfaces. 10:24382-24391. 2018
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Kinetic mechanism for reversible structural transition in
- Aziridinium Lead Iodide: A Stable, Low-Band-Gap Hybrid Halide Perovskite for Photovoltaics. Journal of Physical Chemistry Letters. 9:874-880. 2018
- One-dimensional electron gas in strained lateral heterostructures of single layer materials. Scientific Reports. 7:4316. 2017
- Alloying strategy for two-dimensional GaN optical emitters. Physical Review B. 96. 2017
- Localization of Electronic States in III-V Semiconductor Alloys: A Comparative Study. Physical Review Applied. 7. 2017
- Ionization Energy as a Stability Criterion for Halide Perovskites. Journal of Physical Chemistry C. 121:11977-11984. 2017
- Thermodynamic origin of instability in hybrid halide perovskites. Scientific Reports. 6:37654. 2016
- Recent developments in the ABINIT software package. Computer Physics Communications. 205:106-131. 2016
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Configuration dependence of band-gap narrowing and localization in dilute
- Molecular Dynamics of Fibrinogen Adsorption onto Graphene, but Not onto Poly(ethylene glycol) Surface, Increases Exposure of Recognition Sites That Trigger Immune Response. Journal of Chemical Information and Computer Sciences Journal of Chemical Information and Modeling. 56:706-720. 2016
- Density functional theory and experimental studies of caffeic acid adsorption on zinc oxide and titanium dioxide nanoparticles. RSC Advances. 5:106877-106885. 2015
- Efficient Driving of Piezoelectric Transducers Using a Biaxial Driving Technique. PLoS ONE. 10:e0139178-e0139178. 2015
- Unfolding the band structure of disordered solids: From bound states to high-mobility Kane fermions. Physical Review B - Condensed Matter and Materials Physics. 90. 2014
- An atomic charge model for graphene oxide for exploring its bioadhesive properties in explicit water. Journal of Chemical Physics. 141:044705-044705. 2014
- First-principle modelling of the ferroelectric switching in BaTiO3: concurrent switching versus domain wall motion. Modelling and Simulation in Materials Science and Engineering. 22:055014-055014. 2014
- Binding of solvated peptide (EPLQLKM) with a graphene sheet via simulated coarse-grained approach. Journal of Chemical Physics. 140:204901-204901. 2014
- Marble game with optimal ferroelectric switching. Journal of Physics Condensed Matter. 26:135901-135901. 2014
- Favorable adsorption of capped amino acids on graphene substrate driven by desolvation effect. Journal of Chemical Physics. 139:174711-174711. 2013
- First-principle prediction of single-carrier avalanche multiplication in chalcopyrite semiconductors. Journal of Applied Physics. 113:203104-203104. 2013
- BerryPI: A software for studying polarization of crystalline solids with WIEN2k density functional all-electron package. Computer Physics Communications. 184:647-651. 2013
- Lead monoxide α-PbO: electronic properties and point defect formation. Journal of Physics Condensed Matter. 25:075803-075803. 2013
- Modeling the radiation ionization energy and energy resolution of trigonal and amorphous selenium from first principles. Journal of Physics Condensed Matter. 24:455502-455502. 2012
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Atomic scale annealing effects on In
- Luminescence dynamics in Ga(AsBi). Applied Physics Letters. 98:161104-161104. 2011
- Evidence of two disorder scales in Ga(AsBi). Physica Status Solidi (B): Basic Research. 248:851-854. 2011
- Generalized lucky-drift model for impact ionization in semiconductors with disorder. Journal of Physics Condensed Matter. 23:055802-055802. 2011
- Lone-pair states as a key to understanding impact ionization in chalcogenide semiconductors. Journal of Physics Condensed Matter. 22:355803-355803. 2010
- Clustering effects in Ga(AsBi). Applied Physics Letters. 96:131115-131115. 2010
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Effect of bonding and static atomic displacements on composition quantification in
- Formation Energies of Antiphase Boundaries in GaAs and GaP: An ab Initio Study. International Journal of Molecular Sciences. 10:5104-5114. 2009
- Resonant electron tunneling through defects in GaAs tunnel diodes. Journal of Applied Physics. 104:094506-094506. 2008
- Direct structural evidence of the change in N-III bonding in (GaIn)(NAs) before and after thermal annealing. Journal of Applied Physics. 104:053504-053504. 2008
- Modeling the compositional dependence of electron diffraction in dilute GaAs- and GaP-based compound semiconductors. Physical Review B - Condensed Matter and Materials Physics. 78. 2008
- Resonant tunneling as a dominant transport mechanism in n-GaAs∕p-GaAs tunnel diodes. Applied Physics Letters. 92:243504-243504. 2008
- Exact Solution for Hopping Dissociation of Geminate Electron-Hole Pairs in a Disordered Chain. Physical Review Letters. 100:196602. 2008
- Spectral and time dependences of the energy transfer of bound optical excitations in GaP(N). Journal of Physics Condensed Matter. 20:015217-015217. 2008
- Kinetic effects in recombination of optical excitations in disordered quantum heterostructures: Theory and experiment. Journal of Luminescence. 127:285-290. 2007
- Annealing effects on the nanoscale indium and nitrogen distribution in Ga(NAs) and (GaIn)(NAs) quantum wells. Journal of Applied Physics. 102:083504-083504. 2007
- Avalanche multiplication phenomenon in amorphous semiconductors: Amorphous selenium versus hydrogenated amorphous silicon. Journal of Applied Physics. 102:053711-053711. 2007
- Material Development for Improved 1eV(GaIn)(NAs) Solar Cell Structures. Journal of Solar Energy Engineering, Transactions of the ASME. 129:266-271. 2007
- Relaxation and recombination in InAs quantum dots. Physica Status Solidi (B): Basic Research. 244:2803-2815. 2007
- Spectral dependence of the photoluminescence decay in disordered semiconductors. Applied Physics Letters. 91:021903-021903. 2007
- Model of annealing-induced short-range order effects in (GaIn)(NP) alloys. Physical Review B - Condensed Matter and Materials Physics. 74. 2006
- Model of temperature quenching of photoluminescence in disordered semiconductors and comparison to experiment. Physical Review B - Condensed Matter and Materials Physics. 73. 2006
- Nanoanalytical quantification of the nitrogen content in Ga(NAs)∕GaAs by using transmission electron microscopy in combination with refined structure factor calculation. Applied Physics Letters. 88:081910-081910. 2006
- Kinetics of the photostructural changes in a-Se films. Journal of Applied Physics. 100:113506-113506. 2006
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Temperature-dependent optical properties of
- Quantitative description of disorder parameters in (GaIn)(NAs) quantum wells from the temperature-dependent photoluminescence spectroscopy. Journal of Applied Physics. 98:063518-063518. 2005
- Erratum: “Columnar [001]-oriented nitrogen order in Ga(NAs) and (GaIn)(NAs) alloys” [Appl. Phys. Lett. 85, 5908 (2004)]. Applied Physics Letters. 87:049903-049903. 2005
- Columnar [001]-oriented nitrogen order in Ga(NAs) and (GaIn)(NAs) alloys. Applied Physics Letters. 85:5908-5910. 2004
- Concentration dependence of the hopping mobility in disordered organic solids. Physical Review B - Condensed Matter and Materials Physics. 69. 2004
- Bimolecular theory of non-radiative recombination in semiconductors with disorder
- Electrochemical stability of ZnMn2O4: Understanding Zn-ion rechargeable battery capacity and degradation
- Importance of the nonlocal exchange potential for effective mass calculations in semiconductors: Benchmarking exchange-correlation potentials with the mstar60 dataset
- Robust Bloch character at the band edges of hybrid halide perovskites
- Stability of aziridinium lead iodide perovskite: ring strain and water vulnerability
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chapter
- Charge Transport in Disordered Materials. 1-1. 2017
- Bismuth-containing III–V semiconductors. 139-158. 2013
- Description of Charge Transport in Disordered Organic Materials. Advances in Polymer Science. 1-28. 2009
- Description of Charge Transport in Amorphous Semiconductors. 49-96. 2006
- Description of Charge Transport in Disordered Organic Materials. 221-266. 2006
- Charge Transport in Disordered Materials. 161-186. 2006
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conference paper
- Optimal phase on biaxial driven transducers based only on electrical power measurements. IEEE International Ultrasonics Symposium, IUS. 2017
- Optimal phase on biaxial driven transducers based only on electrical power measurements. IEEE International Ultrasonics Symposium, IUS. 1-1. 2017
- Microscopic modelling of opto-electronic properties of dilute bismide materials for the mid-IR. Proceedings of SPIE - The International Society for Optical Engineering. 2016
- Impact ionization threshold energy of trigonal selenium: An ab initio study. Canadian Journal of Physics. 483-485. 2013
- Interaction of hot carriers with optical phonons in Selenium. Journal of Non-Crystalline Solids. 2434-2436. 2012
- Determination of Nitrogen Concentration in Dilute GaNAs by STEM HAADF Z-Contrast Imaging. Journal of Physics: Conference Series. 012033-012033. 2011
- Investigation of optical and concentration profile changes of InGaNAs/GaAs heterostructures induced by thermal annealing. Journal of Physics: Conference Series. 012038-012038. 2011
- TEM 3-beam study of annealing effects in InGaNAs using ab-initio structure factors for strain-relaxed supercells. Journal of Physics: Conference Series. 012026-012026. 2011
- Bulk Properties of α-PbO From First-principle Self-consistent Calculations. AIP Conference Proceedings. 2011
- Description of charge transport in disordered organic materials. Advances in Polymer Science. 45-71. 2010
- Quantum modeling of semiconductor gain materials and vertical-external-cavity surface-emitting laser systems. Physica Status Solidi (B): Basic Research. 789-808. 2010
- Development and optimization of a 1 eV (GaIn)(NAs) solar cell. Conference Record of the IEEE Photovoltaic Specialists Conference. 001015-001019. 2009
- DEVELOPMENT AND OPTIMIZATION OF A 1 eV (Galn)(NAs) SOLAR CELL. Conference Record of the IEEE Photovoltaic Specialists Conference. 2032-+. 2009
- Lucky-drift model for impact ionization in amorphous semiconductors. Journal of Materials Science: Materials in Electronics. 221-225. 2009
- Reversible vs irreversible photodarkening in a-Se: the kinetics study. Journal of Materials Science: Materials in Electronics. 111-115. 2009
- Avalanche multiplication in amorphous selenium and its utilization in imaging. Journal of Non-Crystalline Solids. 2691-2696. 2008
- Scattering and movement asymmetry in the one-dimensional lucky-drift simulation of the avalanche processes in disordered semiconductors. Journal of Non-Crystalline Solids. 2657-2661. 2008
- Hopping energy relaxation of localized excitons in GaP(N). Physica Status Solidi (C) Current Topics in Solid State Physics. 768-771. 2008
- One‐dimensional lucky‐drift model with scattering and movement asymmetries for impact ionization in amorphous semiconductors. Physica Status Solidi (C) Current Topics in Solid State Physics. 796-799. 2008
- Photoconductivity in amorphous selenium blocking structures. Physica Status Solidi (C) Current Topics in Solid State Physics. 790-795. 2008
- Nature and dynamics of carrier escape from InAs/GaAs quantum dots. Physica Status Solidi (C) Current Topics in Solid State Physics. 2397-2401. 2006
- Non‐radiative recombination of optical excitations in (GaIn)(NAs) quantum wells. Physica Status Solidi (C) Current Topics in Solid State Physics. 2481-2484. 2006
- On the concentration and field dependences of the hopping mobility in disordered organic solids. Journal of Non-Crystalline Solids. 1644-1647. 2006
- Theoretical description of hopping transport in disordered materials. Thin Solid Films. 2-7. 2005
- On description of Coulomb effects caused by doping in amorphous and disordered organic semiconductors. Journal of Optoelectronics and Advanced Materials. 1929-1933. 2005
- On the theoretical description of photoluminescence in disordered quantum structures. Journal of Optoelectronics and Advanced Materials. 115-120. 2005
- Specific structural and compositional properties of (GaIn)(NAs) and their influence on optoelectronic device performance. Journal of Crystal Growth. 739-747. 2004
- Hopping relaxation of excitons in GaInNAs/GaNAs quantum wells. Physica Status Solidi (C) Current Topics in Solid State Physics. 109-112. 2004