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Igor
Igor Abrikosov
Professor

Publications

YearTitle
2014 Ab initio calculation of the solution enthalpies of substitutional and interstitial impurities in paramagnetic fcc Fe
2014 Anomalous epitaxial stability of (001) interfaces in ZrN/SiNx multilayers
2014 Effect of Re content on elastic properties of B2 NiAl from ab initio calculations
2014 Electrically and Mechanically Tunable Electron Spins in Silicon Carbide Color Centers
2014 High temperature phase decomposition in TixZryAlzN
2014 Impact of electronic correlations on the equation of state and transport in epsilon-Fe
2014 Including the effects of pressure and stress in thermodynamic functions
2014 Molecular dynamics simulation of the growth of Cu nanoclusters from Cu ions in a plasma
2014 Multiple
2014 A Nanolaminated Magnetic Phase: Mn2GaC
2014 Pressure and temperature dependence of the zero-field splitting in the ground state of NV centers in diamond: A first-principles study
2014 Theoretical investigation of the single photon emitter carbon antisite-vacancy pair in 4H-SiC
2014 Theoretical Modeling of Thermodynamic and Mechanical Properties of the Pure Components of Ti and Zr Based Alloys Using the Exact Muffin-Tin Orbitals Method
2014 Theoretical unification of hybrid-DFT and DFT plus U methods for the treatment of localized orbitals
2014 Vibrational free energy and phase stability of paramagnetic and antiferromagnetic CrN from ab initio molecular dynamics
2013 Elastic properties of fcc Fe-Mn-X (X = Cr, Co, Ni, Cu) alloys studied by the combinatorial thin film approach and ab initio calculations
2013 Elastic properties of fcc Fe-Mn-X (X=Cr, Co, Ni, Cu) alloys from first-principles calculations
2013 Electronic properties and magnetism of iron at the Earth's inner core conditions
2013 Exchange interactions in paramagnetic amorphous and disordered crystalline CrN-based systems
2013 High pressure and high temperature stabilization of cubic AlN in Ti0.60Al0.40N
2013 Hyperne Splitting and Room-Temperature Ferromagnetism of Ni at Multimegabar Pressure
2013 Magnetic Self-Organized Atomic Laminate from First Principles and Thin Film Synthesis
2013 Pressure-induced hydrogen bond symmetrization in iron oxyhydroxide
2013 Role of screening in the density functional applied to transition-metal defects in semiconductors
2013 Strong electron correlations stabilize paramagnetic cubic Cr1-xAlxN solid solutions
2013 Systematic theoretical search for alloys with increased thermal stability for advanced hard coatings applications
2013 Temperature dependence of TiN elastic constants from ab initio molecular dynamics simulations
2013 Temperature dependent effective potential method for accurate free energy calculations of solids
2013 Temperature-dependent effective third-order interatomic force constants from first principles
2013 Volume matching condition to establish the enhanced piezoelectricity in ternary (Sc,Y)0.5(Al,Ga,In)0.5N alloys
2012 Ab initio elastic tensor of cubic Ti0.5Al0.5N alloys: Dependence of elastic constants on size and shape of the supercell model and their convergence
2012 Elastic constants, composition, and piezolectric polarization in InxAl1-xN: From ab initio calculations to experimental implications for the applicability of Vegards rule
2012 Equation of state of paramagnetic CrN from ab initio molecular dynamics
2012 First-principles study of the SiNx/TiN(001) interface
2012 Importance of Thermally Induced Magnetic Excitations in First-principles Simulations of Elastic Properties of Transition Metal Alloys
2012 Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar pressures
2012 Significant correlation between macroscopic and microscopic parameters for the description of localized plastic flow auto-waves in deforming alloys
2012 Site preference and effect of alloying on elastic properties of ternary B2 NiAl-based alloys
2011 Configurational thermodynamics of Fe-Ni alloys at Earth’s core conditions
2011 Dynamic stability of palladium hydride: An ab initio study
2011 Effect of pressure on phase stability in Fe-Cr alloys
2011 Elastic properties of fcc Fe-Mn-X (X = Al, Si) alloys studied by theory and experiment
2011 Electron-Deficient and Polycenter Bonds in the High-Pressure gamma-B(28) Phase of Boron
2011 First-principles study of dislocations in hcp metals through the investigation of the (11(2)over-bar1) twin boundary
2011 Impact of lattice vibrations on equation of state of the hardest boron phase
2011 Improving thermal stability of hard coating films via a concept of multicomponent alloying
2011 The influence of additions of Al and Si on the lattice stability of fcc and hcp Fe-Mn random alloys
2011 Influence of chemical composition and magnetic effects on the elastic properties of fcc Fe-Mn alloys
2011 Interface core-level shifts as a probe of embedded thin-film quality
2011 Lattice dynamics of anharmonic solids from first principles
2011 Magnetic nanoscale laminates with tunable exchange coupling from first principles
2011 Missing-atom structure of diamond Sigma 5 (001) twist grain boundary
2011 Phase Stability and Elasticity of TiAlN
2011 Structural and magnetic ground-state properties of ?-FeMn alloys from ab initio calculations
2011 A unified cluster expansion method applied to the configurational thermodynamics of cubic TiAlN
2010 Ab-initio calculations and synthesis of the off-stoichiometric half-Heusler phase Ni1-xMn1+xSb
2010 Ab initio lattice stability of fcc and hcp Fe-Mn random alloys
2010 Effect of magnetic disorder and strong electron correlations on the thermodynamics of CrN
2010 Equation of state and elastic properties of face-centered-cubic Fe-Mg alloy at ultrahigh pressures from first-principles
2010 First principle calculations of core-level binding energy and Auger kinetic energy shifts in metallic solids
2010 Influence of the Magnetic State on the Chemical Order-Disorder Transition Temperature in Fe-Ni Permalloy
2010 Origin of the Anomalous Piezoelectric Response in Wurtzite Sc(x)Al(1-x)N Alloys
2010 Phase stability of Ti(2)AlC upon oxygen incorporation: A first-principles investigation
2010 Questionable collapse of the bulk modulus in CrN
2010 Significant elastic anisotropy in Ti(1-x)Al(x)N alloys
2010 Single-monolayer SiN(x) embedded in TiN: A first-principles study
2010 Wave function extended Lagrangian Born-Oppenheimer molecular dynamics

Projects

Year Title
  Visualization tool for electronic structure calculations