Zsolt Rak
Research Interests
My research interest is centered on studying and understanding the structural and electronic properties of materials,
by means of first-principles computational methods within density functional theory (DFT). My current projects are focused on understanding the behavior of actinide containing materials (radioactive heavy elements such as uranium and plutonium) and controlling materials processes at atomic and electronic levels.
Recent publications
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Jianwei Wang, Zsolt Rak, Fuxiang Zhang, Rodney C. Ewing, and Udo Becker,
Electronic structure and energetics of tetragonal SrCuO2 and its high-pressure superstructure phase, J. Phys.: Condens. Matter 23 465503 (2011) - article highlighted in LabTalk
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Zsolt Rak, Rodney C. Ewing, and Udo Becker,
Role of iron in the incorporation of uranium in ferric garnet matrices, Phys. Rev. B 84, 155128 (2011).
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Zsolt Rak, Rodney C. Ewing, and Udo Becker,
First-principles investigation of Ca3(Ti, Zr, Hf, Sn)2Fe2SiO12 garnet structure for incorporation of actinides, Phys. Rev. B 83, 155123 (2011).
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Zsolt Rak, S. D. Mahanti, Krishna C. Mandal, and Nils Fernelius,
Doping dependence of electronic and mechanical properties of GaSe1-xTex and Ga1-xInxSe from first principles, Phys. Rev. B 82, 155203 (2010).
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Zsolt Rak, S. D. Mahanti, Krishna C. Mandal, and Nils C. Fernelius,
Defect induced rigidity enhancement in layered semiconductors, Solid State Comm. 150, 1200 (2010).
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Zsolt Rak, S. D. Mahanti, and Krishna C. Mandal,
Ab initio modeling of hydrogen defects in CdTe, J. Electron. Mater. 38, 1539 (2009)
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A. Tomic, Zsolt Rak, J. P. Veazey, S. D. Mahanti, S. H. Tessmer, C. D. Malliakas, and M. G. Kanatzidis,
Scanning tunneling microscopy study of the CeTe3 charge density wave,
Phys. Rev. B 79, 085422 (2009).
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Zsolt Rak, S. D. Mahanti, Krishna C. Mandal, and Nils C. Fernelius,
Electronic structure of substitutional defects and vacancies in GaSe,
J. Phys. Chem. Solids 70, 344 (2009).
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Zsolt Rak, S. D. Mahanti, Krishna C. Mandal, and Nils C. Fernelius,
Theoretical studies of defect states in GaTe,
J. Phys.: Condens. Matter 21, 015504 (2008).
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Xiuni Wu, Melanie Francisco, Zsolt Rak, T. Bakas, S.D. Mahanti, and Mercouri G. Kanatzidis,
Synthesis, magnetism and electronic structure of YbNi2-xFexAl8 (x=0.91) isolated from Al flux,
J. Solid State Chem. 181, 2369 (2008).