@article{rak_brenner_2020, title={Exchange interactions and long-range magnetic order in the (Mg,Co,Cu,Ni,Zn)O entropy-stabilized oxide: A theoretical investigation}, volume={127}, ISSN={["1089-7550"]}, DOI={10.1063/5.0008258}, number={18}, journal={JOURNAL OF APPLIED PHYSICS}, author={Rak, Zs and Brenner, D. W.}, year={2020}, month={May} }
 @article{rak_brenner_2019, title={Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors}, volume={526}, ISSN={["1873-4820"]}, DOI={10.1016/j.jnucmat.2019.151773}, journal={JOURNAL OF NUCLEAR MATERIALS}, author={Rak, Zs and Brenner, D. W.}, year={2019}, month={Dec} }
 @article{lim_rak_braun_rost_kotsonis_hopkins_maria_brenner_2019, title={Influence of mass and charge disorder on the phonon thermal conductivity of entropy stabilized oxides determined by molecular dynamics simulations}, volume={125}, ISSN={["1089-7550"]}, DOI={10.1063/1.5080419}, number={5}, journal={JOURNAL OF APPLIED PHYSICS}, author={Lim, M. and Rak, Zs. and Braun, J. L. and Rost, C. M. and Kotsonis, G. N. and Hopkins, P. E. and Maria, J. -P. and Brenner, D. W.}, year={2019}, month={Feb} }
 @article{kleppinger_pershin_rak_mandal_2019, title={Investigation on origin of Ru-induced deep-level defects in 4H-SiC epilayer based Schottky diodes by DLTS and theoretical calculations}, volume={11114}, ISSN={["1996-756X"]}, DOI={10.1117/12.2530177}, journal={HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XXI}, author={Kleppinger, Joshua W. and Pershin, Yuriy and Rak, Zsolt and Mandal, Krishna C.}, year={2019} }
 @article{rak_brenner_2019, title={Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions}, volume={2019}, ISSN={["1687-4129"]}, DOI={10.1155/2019/5268415}, journal={JOURNAL OF NANOMATERIALS}, author={Rak, Zs. and Brenner, D. W.}, year={2019}, month={Oct} }
 @article{rak_maria_brenner_2018, title={Evidence for Jahn-Teller compression in the (Mg, Co, Ni, Cu, Zn)O entropy-stabilized oxide: A DFT study}, volume={217}, ISSN={["1873-4979"]}, DOI={10.1016/j.matlet.2018.01.111}, journal={MATERIALS LETTERS}, author={Rak, Zs. and Maria, J. -P. and Brenner, D. W.}, year={2018}, month={Apr}, pages={300–303} }
 @article{rak_brenner_2018, title={First-principles investigation of diffusion and defect properties of Fe and Ni in Cr2O3}, volume={123}, number={15}, journal={Journal of Applied Physics}, author={Rak, Z. and Brenner, D. W.}, year={2018} }
 @article{rak_brenner_2017, title={Ab initio investigation of the surface properties of austenitic Fe-Ni-Cr alloys in aqueous environments}, volume={402}, ISSN={["1873-5584"]}, DOI={10.1016/j.apsusc.2017.01.048}, journal={APPLIED SURFACE SCIENCE}, author={Rak, Zs. and Brenner, D. W.}, year={2017}, month={Apr}, pages={108–113} }
 @article{rost_rak_brenner_maria_2017, title={Local structure of the MgxNixCoxCuxZnxO(x=0.2) entropy-stabilized oxide: An EXAFS study}, volume={100}, ISSN={["1551-2916"]}, DOI={10.1111/jace.14756}, number={6}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Rost, Christina M. and Rak, Zsolt and Brenner, Donald W. and Maria, Jon-Paul}, year={2017}, month={Jun}, pages={2732–2738} }
 @article{rak_rost_lim_sarker_toher_curtarolo_maria_brenner_2016, title={Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations}, volume={120}, number={9}, journal={Journal of Applied Physics}, author={Rak, Z. and Rost, C. M. and Lim, M. and Sarker, P. and Toher, C. and Curtarolo, S. and Maria, J. P. and Brenner, D. W.}, year={2016} }
 @article{rak_o'brien_shin_andersson_stanek_brenner_2016, title={Theoretical assessment of bonaccordite formation in pressurized water reactors}, volume={474}, ISSN={["1873-4820"]}, DOI={10.1016/j.jnucmat.2016.02.016}, journal={JOURNAL OF NUCLEAR MATERIALS}, author={Rak, Zs and O'Brien, C. J. and Shin, D. and Andersson, A. D. and Stanek, C. R. and Brenner, D. W.}, year={2016}, month={Jun}, pages={62–64} }
 @article{rak_o'brien_brenner_andersson_stanek_2016, title={Understanding the Atomic-Level Chemistry and Structure of Oxide Deposits on Fuel Rods in Light Water Nuclear Reactors Using First Principles Methods}, volume={68}, ISSN={["1543-1851"]}, DOI={10.1007/s11837-016-2102-z}, number={11}, journal={JOM}, author={Rak, Zs. and O'Brien, C. J. and Brenner, D. W. and Andersson, D. A. and Stanek, C. R.}, year={2016}, month={Nov}, pages={2912–2921} }
 @article{brenner_lu_christopher j. o'brien_bucholz_rak_2015, title={A particle assembly/constrained expansion (PACE) model for the formation and structure of porous metal oxide deposits on nuclear fuel rods in pressurized light water reactors}, volume={457}, ISSN={["1873-4820"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84915820676&partnerID=MN8TOARS}, DOI={10.1016/j.jnucmat.2014.11.061}, journal={JOURNAL OF NUCLEAR MATERIALS}, author={Brenner, Donald W. and Lu, Shijing and Christopher J. O'Brien and Bucholz, Eric W. and Rak, Zsolt}, year={2015}, month={Feb}, pages={209–212} }
 @article{rak_bucholz_brenner_2015, title={Defect formation in aqueous environment: Theoretical assessment of boron incorporation in nickel ferrite under conditions of an operating pressurized-water nuclear reactor (PWR)}, volume={461}, ISSN={["1873-4820"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84925834410&partnerID=MN8TOARS}, DOI={10.1016/j.jnucmat.2015.03.038}, journal={JOURNAL OF NUCLEAR MATERIALS}, author={Rak, Zs. and Bucholz, E. W. and Brenner, D. W.}, year={2015}, month={Jun}, pages={350–356} }
 @article{rak_brenner_2015, title={Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb3AuGe2In3}, volume={95}, ISSN={["1478-6443"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84936847188&partnerID=MN8TOARS}, DOI={10.1080/14786435.2015.1052859}, number={20}, journal={PHILOSOPHICAL MAGAZINE}, author={Rak, Zs. and Brenner, D. W.}, year={2015}, month={Jul}, pages={2167–2174} }
 @article{christopher j. o'brien_rak_brenner_2014, title={Calculated Stability and Structure of Nickel Ferrite Crystal Surfaces in Hydrothermal Environments}, volume={118}, ISSN={["1932-7447"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84896339695&partnerID=MN8TOARS}, DOI={10.1021/jp5002308}, number={10}, journal={JOURNAL OF PHYSICAL CHEMISTRY C}, author={Christopher J. O'Brien and Rak, Zs and Brenner, Donald W.}, year={2014}, month={Mar}, pages={5414–5423} }
 @article{o'brien_rak_bucholz_brenner_2014, title={First principles calculations predict stable 50 nm nickel ferrite particles in PWR coolant}, volume={454}, ISSN={["1873-4820"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84906355696&partnerID=MN8TOARS}, DOI={10.1016/j.jnucmat.2014.07.049}, number={1-3}, journal={JOURNAL OF NUCLEAR MATERIALS}, author={O'Brien, C. J. and Rak, Zs. and Bucholz, E. W. and Brenner, D. W.}, year={2014}, month={Nov}, pages={77–80} }
 @article{rak_o'brien_brenner_2014, title={First-principles investigation of boron defects in nickel ferrite spinel}, volume={452}, ISSN={["1873-4820"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84903142361&partnerID=MN8TOARS}, DOI={10.1016/j.jnucmat.2014.05.031}, number={1-3}, journal={JOURNAL OF NUCLEAR MATERIALS}, author={Rak, Zs and O'Brien, C. J. and Brenner, D. W.}, year={2014}, month={Sep}, pages={446–452} }
 @inproceedings{rák_o’brien_brenner_2014, title={First-principles investigation of boron incorporation into CRUD under Pressurized Water Reactor conditions}, volume={1709}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84924370814&partnerID=MN8TOARS}, DOI={10.1557/opl.2014.748}, booktitle={Materials Research Society Symposium Proceedings}, author={Rák, Z. and O’Brien, C.J. and Brenner, D.W.}, year={2014} }
 @article{guo_rak_tavakoli_becker_ewing_navrotsky_2014, title={Thermodynamics of thorium substitution in yttrium iron garnet: comparison of experimental and theoretical results}, volume={2}, ISSN={["2050-7496"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84907789784&partnerID=MN8TOARS}, DOI={10.1039/c4ta03683b}, number={40}, journal={JOURNAL OF MATERIALS CHEMISTRY A}, author={Guo, X. and Rak, Zs. and Tavakoli, A. H. and Becker, U. and Ewing, R. C. and Navrotsky, A.}, year={2014}, month={Oct}, pages={16945–16954} }
 @article{nelson_rak_abrecht-schmitt_becker_ewing_2014, title={Three New Silver Uranyl Diphosphonates: Structures and Properties}, volume={53}, ISSN={["1520-510X"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84896370524&partnerID=MN8TOARS}, DOI={10.1021/ic401897n}, number={6}, journal={INORGANIC CHEMISTRY}, author={Nelson, Anna-Gay D. and Rak, Zsolt and Abrecht-Schmitt, Thomas E. and Becker, Udo and Ewing, Rodney C.}, year={2014}, month={Mar}, pages={2787–2796} }
 @article{rak_ewing_becker_2013, title={Electronic structure and thermodynamic stability of uranium-doped yttrium iron garnet}, volume={25}, ISSN={["1361-648X"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84887587342&partnerID=MN8TOARS}, DOI={10.1088/0953-8984/25/49/495502}, number={49}, journal={JOURNAL OF PHYSICS-CONDENSED MATTER}, author={Rak, Zs and Ewing, R. C. and Becker, U.}, year={2013}, month={Dec} }
 @article{rak_ewing_becker_2013, title={Ferric garnet matrices for immobilization of actinides}, volume={436}, ISSN={["1873-4820"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84873616579&partnerID=MN8TOARS}, DOI={10.1016/j.jnucmat.2013.01.290}, number={1-3}, journal={JOURNAL OF NUCLEAR MATERIALS}, author={Rak, Zs and Ewing, R. C. and Becker, U.}, year={2013}, month={May}, pages={1–7} }
 @article{o’brien_rák_brenner_2013, title={Free energies of (Co, Fe, Ni, Zn) Fe 2 O 4 spinels and oxides in water at high temperatures and pressure from density functional theory: results for stoichiometric NiO and NiFe2O4surfaces}, volume={25}, ISSN={0953-8984 1361-648X}, url={http://dx.doi.org/10.1088/0953-8984/25/44/445008}, DOI={10.1088/0953-8984/25/44/445008}, number={44}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={O’Brien, C J and Rák, Z and Brenner, D W}, year={2013}, month={Oct}, pages={445008} }
 @article{o’brien_rak_brenner_2013, title={Free energies of (Co, Fe, Ni, Zn)Fe2O4 spinels and oxides in water at high temperatures and pressure from density functional theory: Results for stoichiometric NiO and NiFe2O4 surfaces}, volume={25}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84886926697&partnerID=MN8TOARS}, DOI={10.1088/0953-8984/25/44/445008}, number={44}, journal={Journal of Physics Condensed Matter}, author={O’Brien, C.J. and Rak, Zsolt and Brenner, D.W.}, year={2013} }
 @article{rak_ewing_becker_2013, title={Hydroxylation-induced surface stability of AnO(2) (An = U, Np, Pu) from first-principles}, volume={608}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84870423082&partnerID=MN8TOARS}, DOI={10.1016/j.susc.2012.10.002}, journal={Surface Science}, author={Rak, Zs and Ewing, R. C. and Becker, U.}, year={2013}, pages={180–187} }
 @article{rak_ewing_becker_2011, title={Ab initio investigation of actinide incorporation in Ti, Zr, Hf, and Sn-containing garnet structure}, volume={241}, journal={Abstracts of Papers of the American Chemical Society}, author={Rak, Zsolt and Ewing, Rodney C. and Becker, Udo}, year={2011} }
 @article{shuller_renock_rak_fernando_dzulkifli_ewing_becker_2011, title={Actinide adsorption onto mineral surfaces: A quantum-mechanical investigation}, volume={242}, journal={Abstracts of Papers of the American Chemical Society}, author={Shuller, Lindsay and Renock, Devon and Rak, Zsolt and Fernando, Sandy and Dzulkifli, Izyan and Ewing, Rodney and Becker, Udo}, year={2011} }
 @article{becker_shuller_ewing_rak_2011, title={Actinide incorporation into uranyl alteration phases and garnets}, volume={242}, journal={Abstracts of Papers of the American Chemical Society}, author={Becker, Udo and Shuller, Lindsay C. and Ewing, Rodney C. and Rak, Zsolt}, year={2011} }
 @article{wang_rak_zhang_ewing_becker_2011, title={Electronic structure and energetics of tetragonal SrCuO2and its high-pressure superstructure phase}, volume={23}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-80755127291&partnerID=MN8TOARS}, DOI={10.1088/0953-8984/23/46/465503}, number={46}, journal={Journal of Physics-Condensed Matter}, author={Wang, Jianwei and Rak, Zsolt and Zhang, Fuxiang and Ewing, Rodney C. and Becker, Udo}, year={2011}, pages={465503} }
 @article{rak_mahanti_mandal_fernelius_2011, title={Electronic structure of Cd, In, Sn substitutional Defects in GaSe}, volume={994}, DOI={10.1557/PROC-0994-F03-10}, journal={In, Sn substitutional Defects in GaSe', <i>MRS Proceedings}, author={Rak, Zsolt and Mahanti, Subhendra D. and Mandal, Krishna C. and Fernelius, Nils C.}, year={2011} }
 @article{rak_ewing_becker_2011, title={First-principles investigation of Ca-3(Ti, Zr, Hf, Sn)(2)Fe2SiO12 garnet structure for incorporation of actinides}, volume={83}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-79961113423&partnerID=MN8TOARS}, DOI={10.1103/PhysRevB.83.155123}, number={15}, journal={Physical Review B}, author={Rak, Zs and Ewing, R. C. and Becker, U.}, year={2011} }
 @article{rak_ewing_becker_2011, title={Role of iron in the incorporation of uranium in ferric garnet matrices}, volume={84}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-80455129666&partnerID=MN8TOARS}, DOI={10.1103/PhysRevB.84.155128}, number={15}, journal={Physical Review B}, author={Rak, Zs. and Ewing, R. C. and Becker, U.}, year={2011} }
 @article{rak_mahanti_mandal_fernelius_2010, title={Defect-induced rigidity enhancement in layered semiconductors}, volume={150}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-77954218210&partnerID=MN8TOARS}, DOI={10.1016/j.ssc.2010.04.011}, number={27-28}, journal={Solid State Communications}, author={Rak, Zs. and Mahanti, S. D. and Mandal, Krishna C. and Fernelius, N. C.}, year={2010}, pages={1200–1203} }
 @article{rak_mahanti_mandal_fernelius_2010, title={Doping dependence of electronic and mechanical properties of GaSe1-xTex and Ga1-xInxSe from first principles}, volume={82}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-78149246709&partnerID=MN8TOARS}, DOI={10.1103/PhysRevB.82.155203}, number={15}, journal={Physical Review B}, author={Rak, Zs. and Mahanti, S. D. and Mandal, Krishna C. and Fernelius, N. C.}, year={2010} }
 @article{rak_ewing_becker_2010, title={Electronic structure of Ti, Zr, Hf and Sn containing garnets - Materials for immobilization of actinides}, volume={74}, number={12}, journal={Geochimica Et Cosmochimica Acta}, author={Rak, Zsolt and Ewing, Rodney C. and Becker, Udo}, year={2010}, pages={A845} }
 @article{wu_francisco_zsolt rak_mahanti_kanatzidis_2009, title={ChemInform Abstract: Synthesis, Magnetism and Electronic Structure of YbNi2-xFexAl8(x = 0.91) Isolated from Al Flux.}, volume={40}, DOI={10.1002/chin.200911014}, number={11}, journal={ChemInform}, author={Wu, Xiuni and Francisco, Melanie and Zsolt Rak, T.Bakas and Mahanti, S.D. and Kanatzidis, Mercouri G.}, year={2009} }
 @article{rak_mahanti_mandal_fernelius_2009, title={Electronic structure of substitutional defects and vacancies in GaSe}, volume={70}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-59049094224&partnerID=MN8TOARS}, DOI={10.1016/j.jpcs.2008.10.022}, number={2}, journal={Journal of Physics and Chemistry of Solids}, author={Rak, Zs. and Mahanti, S. D. and Mandal, Krishna C. and Fernelius, N. C.}, year={2009}, pages={344–355} }
 @article{tomic_rak_veazey_malliakas_mahanti_kanatzidis_tessmer_2009, title={Scanning tunneling microscopy study of the CeTe3 charge density wave}, volume={79}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-62149152365&partnerID=MN8TOARS}, DOI={10.1103/PhysRevB.79.085422}, number={8}, journal={Physical Review B}, author={Tomic, A. and Rak, Zs. and Veazey, J. P. and Malliakas, C. D. and Mahanti, S. D. and Kanatzidis, M. G. and Tessmer, S. H.}, year={2009} }
 @article{rak_mahanti_mandal_fernelius_burger_franks_james_2008, title={Theoretical studies of defects states in GaSe and GaTe}, volume={7079}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-57549108317&partnerID=MN8TOARS}, DOI={10.1117/12.796229}, journal={Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X}, author={Rak, Zsolt and Mahanti, S. D. and Mandal, Krishna C. and Fernelius, N. C. and Burger, A and Franks, LA and James, RB}, year={2008} }
 @inbook{rak_mahanti_mandal_fernelius_ashok_chevallier_kiesel_ogino_2007, title={Electronic structure of Cd, In, Sn substitutional defects in GaSe}, volume={994}, booktitle={Semiconductor Defect Engineering-Materials, Synthetic Structures and Devices II}, author={Rak, Zsolt and Mahanti, Subhendra D. and Mandal, Krishna C. and Fernelius, Nils C. and Ashok, S and Chevallier, J and Kiesel, P and Ogino, T}, year={2007}, pages={73–78} }
 @inproceedings{rak_mahanti_mandal_fernelius_2007, title={Electronic structure of Cd, In, Sn substitutional defects in GaSe}, volume={994}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-45749109334&partnerID=MN8TOARS}, booktitle={Materials Research Society Symposium Proceedings}, author={Rak, Z. and Mahanti, S.D. and Mandal, K.C. and Fernelius, N.C.}, year={2007}, pages={73–78} }