Our research is in computational electronic theory of solids. Usually we use so-called first-principles techniques which are based in one way or another on the solution of the quantum-mechanical Schroedinger equation for the given material or nanostructure. The solutions may be used to calculate various measurable properties such as the atomic structure, magnetization, electric resistance or resistivity, response to external fields, spectroscopic properties, etc. Because the general equations are unsolvable, physical insight and clever approximations are always needed to make the calculations manageable. Many different techniques are available, and new ones are constantly being developed. Our work includes both application of appropriate methods to problems of fundamental and practical interest and development of new computational techniques.

Much of our research is related to "spintronic" applications, i. e. those dealing with existing or potential electronic devices whose operation depends on the manipulation of the electron spin (rather than charge used in traditional semiconductor electronics). Examples include magnetic tunnel junctions which are used as miniature field sensors in hard-drive read heads and as non-volatile random-access memory bits in specialized microchips, magnetoelectric heterostructures that can potentially enable fast, non-volatile, and low-power "magnetoelectric memory," or devices based on injection, manipulation, and detection of spin-polarized currents in semiconductors, which may potentially lead to a new generation of more efficient devices for computers. Our research, in particular, helps understand the properties of materials, as well as those of their surfaces or interfaces, which may be useful for such devices.

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2012

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Effect of gadolinium doping on the electronic band structure of europium oxide, Juan Colon Santana, Joonhee Michael An, Ning Wu, Kirill Belashchenko, Xianjie Wang, Pan Liu, Jinke Tang, Yaroslav Losovyj, I. N. Yakovkin, and Peter Dowben

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First-principles study of spin-disorder resistivity of heavy rare-earth metals: Gd–Tm series, J. K. Glasbrenner, Kirill Belashchenko, J. Kudrnovsky, V. Drchal, S. Khmelevskyi, and I. Turek

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Spin filtering with EuO: Insight from the complex band structure, Pavel Lukashev, Aleksander L. Wysocki, Julian P. Velev, Mark van Schilfgaarde, Sitaram Jaswal, Kirill D. Belashchenko, and Evgeny Y. Tsymbal

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Coherent potential approximation as a voltage probe, Mikhail Y. Zhuravlev, A. V. Vedyayev, Kirill D. Belashchenko, and Evgeny Y. Tsymbal

2011

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First-principles study of phase stability of Gd-doped EuO and EuS, J. M. An, S. V. Barabash, V. Ozolins, M. van Schilfgaarde, and Kirill D. Belashchenko

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Ce-doped EuO: Magnetic properties and the indirect band gap, Pan Liu, Jinke Tang, Juan A. Colon Santana, Kirill D. Belashchenko, and Peter Dowben

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Large magnetoelectric effect in ferroelectric/piezomagnetic heterostructures, Pavel Lukashev, Kirill D. Belashchenko, and Renat F. Sabirianov

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Imaging and Control of Surface Magnetization Domains in a Magnetoelectric Antiferromagnet, Ning Wu, Xi He, Aleksander Wysocki, Uday Lanke, Takashi Komesu, Kirill Belashchenko, Christian Binek, and Peter Dowben

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Imaging and Control of Surface Magnetization Domains in a Magnetoelectric Antiferromagnet, Ning Wu, Xi He, Aleksander Wysocki, Uday Lanke, Takashi Komesu, Kirill D. Belashchenko, Christian Binek, and Peter Dowben

2010

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Equilibrium Magnetization at the Boundary of a Magnetoelectric Antiferromagnet, Kirill D. Belashchenko

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Erratum: Equilibrium Magnetization at the Boundary of a Magnetoelectric Antiferromagnet, Kirill D. Belashchenko

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Effects of Gd Doping and Oxygen Vacancies on the Properties of EuO Films Prepared via Pulsed Laser Deposition, Xianjie Wang, Pan Liu, Kyle A. Fox, Jinke Tang, Juan A. Colón Santana, Kirill D. Belashchenko, Peter Dowben, and Yu Sui

2009

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Comparison of n-type Gd2O3 and Gd-doped HfO2, Ya. B. Losovyj, David Wooten, Juan Colon Santana, Joonhee Michael An, Kirill D. Belashchenko, N. Lozova, J. Petrosky, Andrei Sokolov, Jinke Tang, Wendong Wang, Navamoney Arulsamy, and Peter Dowben

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Magnetism of Chromia from First-Principles Calculations, Siqi Shi, A. L. Wysocki, and Kirill D. Belashchenko

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Prediction of a spin-polarized two-dimensional electron gas at the LaAlO3/EuO(001) interface, Yong Wang, Manish K. Niranjan, John D. Burton, Joonhee M. An, Kirill D. Belashchenko, and Evgeny Y. Tsymbal

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First-principles analysis of spin-disorder resistivity of Fe and Ni, A. L. Wysocki, R. F. Sabirianov, M. van Schilfgaarde, and Kirill D. Belashchenko

2008

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Role of Covalent Fe-As Bonding in the Magnetic Moment Formation and Exchange Mechanisms in Iron-Pnictide Superconductors, Kirill D. Belashchenko and V. P. Antropov

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The Importance of Fe Surface States For Magnetic Tunnel Junction Based Spintronic Devices, Athanasios N. Chantis, Kirill D. Belashchenko, Evgeny Y. Tsymbal, and Inna V. Sus

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Theory of the Piezomagnetic Effect in Mn-Based Antiperovskites, Pavel Lukashev, Renat F. Sabirianov, and Kirill Belashchenko

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Effects of ferroelectricity and magnetism on electron and spin transport in Fe/BaTiO3 /Fe multiferroic tunnel junctions, Julian P. Velev, Chun-gang Duan, Kirill D. Belashchenko , Sitaram Jaswal, and Evgeny Y. Tsymbal

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Thermodynamics of Itinerant Magnets in a Classical Spin-Fluctuation Model, A. L. Wysocki, J. K. Glasbrenner, and Kirill D. Belashchenko

2007

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Reversal of spin polarization in Fe/GaAs (001) driven by resonant surface states: First-principles calculations, A. N. Chantis, Kirill D. Belashchenko, D. L. Smith, Evgeny Y. Tsymbal, M. van Schilfgaarde, and R. C. Albers

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Tunneling Anisotropic Magnetoresistance Driven by Resonant Surface States: First-Principles Calculations on an Fe(001) Surface, Athanasios N. Chantis, Kirill D. Belashchenko, Evgeny Y. Tsymbal, and Mark van Schilfgaarde

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The n-type Gd-doped HfO2 to silicon heterojunction diode, Ihor Ketsman, Y. B. Losovyj, Andrei Sokolov, J. Tang, Z. Wang, Kirill D. Belashchenko , and Peter Dowben

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The electronic structure change with Gd doping of HfO2 on silicon, Ya. B. Losovyj, Ihor Ketsman, Andrei Sokolov, Kirill D. Belashchenko , Peter Dowben, Jinke Tang, and Zhenjun Wang

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Isothermal low-field tuning of exchange bias in epitaxial Fe/Cr2O3/Fe, S. Sahoo, T. Mukherjee, K. D. Belashchenko, and Christian Binek

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Interface effects in spin-dependent tunneling, Evgeny Y. Tsymbal, Kirill D. Belashchenko, Julian P. Velev, Sitaram Jaswal, M. van Schilfgaarde, I. I. Oleynik, and D. A. Stewart

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Effect of oxygen vacancies on spin-dependent tunneling in Fe/MgO/Fe, Julian P. Velev, Kirill D. Belashchenko , Sitaram S. Jaswal, and Evgeny Y. Tsymbal

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Effect of Ferroelectricity on Electron Transport in Pt/BaTiO3/Pt Tunnel Junctions, Julian P. Velev, Chun-gang Duan, Kirill D. Belashchenko , Sitaram Jaswal, and Evgeny Y. Tsymbal

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Defect-mediated properties of magnetic tunnel junctions, Julian P. Velev, M. Ye. Zhuravlev, Kirill D. Belashchenko, Sitaram S. Jaswal, Evgeny Y. Tsymbal, T. Katayama, and S. Yuasa

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The electronic band structure of CoS2, Ning Wu, Ya B. Losovyj, David Wisbey, Kirill D. Belashchenko , M. Manno, L. Wang, C. Leighton, and Peter A. Dowben

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Calculations of spin-disorder resistivity from first principles, Aleksander Wysocki, Kirill D. Belashchenko , Julian P. Velev, and M. van Schilfgaarde

2006

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Self-consistent local GW method: Application to 3d and 4d metals, Kirill D. Belashchenko , V.P. Antropov, and N.E. Zein

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Comment on ‘‘Destructive Effect of Disorder and Bias Voltage on Interface Resonance Transmission in Symmetric Tunnel Junctions’’, Julian P. Velev, Kirill D. Belashchenko , and Evgeny Y. Tsymbal

2005

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Positive spin polarization in Co/AlO3 /Co tunnel junctions driven by oxygen adsorption, Kirill Belashchenko, Evgeny Y. Tsymbal, Ivan I. Oleynik, and Mark van Schilfgaarde

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Effect of interface states on spin-dependent tunneling in Fe/MgO/Fe tunnel junctions, Kirill Belashchenko, Julian Velev, and Evgeny Y. Tsymbal

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Role of interface bonding in spin-dependent tunneling (invited), Evgeny Y. Tsymbal and Kirill Belashchenko

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Negative Spin Polarization and Large Tunneling Magnetoresistance in Epitaxial Co|SrTiO3|Co Magnetic Tunnel Junctions, Julian P. Velev, Kirill D. Belashchenko , Derek A. Stewart, Mark van Schilfgaarde, Sitaram Jaswal, and Evgeny Y. Tsymbal

2004

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Effect of interface bonding on spin-dependent tunneling from the oxidized Co surface, Kirill Belashchenko, Evgeny Y. Tsymbal, Mark van Schilfgaarde, D. A. Stewart, Ivan I. Oleynik, and Sitaram Jaswal

2003

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Multiscale modeling of hysteretic phenomena in magnets „(invited), V.P. Antropov and Kirill D. Belashchenko

2002

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Multiscale nature of hysteretic phenomena: Application to CoPt-type magnets, Kirill D. Belashchenko and V.P. Antropov

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Structure of macrodomain walls in polytwinned magnets, Kirill D. Belashchenko and V.P. Antropov

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Kinetics of formation of twinned structures under L10-type orderings in alloys, Kirill D. Belashchenko, I R Pankratov, G D Samolyuk, and V G Vaks

2001

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Anisotropy of conducting p states and 11B nuclear spin-lattice relaxation in Mg1-xAlxB2, Kirill D. Belashchenko , V.P. Antropov, and S.N. Rashkeev

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Coexistence of covalent and metallic bonding in the boron intercalation superconductor MgB2, Kirill D. Belashchenko , M. van Schilfgaarde, and V.P. Antropov

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Superconductivity of Metallic Boron in MgB2, J. Kortus, I.I. Mazin, Kirill D. Belashchenko , V.P. Antropov, and L.L. Boyer

1999

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The kinetic cluster-field method and its application to studies of L12-type orderings in alloys, Kirill D. Belashchenko, V Yu Dobretsov, I R Pankratov, G D Samolyuk, and V G Vaks

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Kinetic features of alloy ordering with many types of ordered domain: D03-type orderings, Kirill D. Belashchenko, G D Samolyuk, and V G Vaks

1998

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Phonon effects in the thermoelectric power of impure metals, Kirill D. Belashchenko and D V Livanov

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The master equation approach to configurational kinetics of alloys via the vacancy exchange mechanism: general relations and features of microstructural evolution, Kirill D. Belashchenko and V G Vaks