Zsolt Rak

Exchange interactions and long-range magnetic order in the (Mg,Co,Cu,Ni,Zn)O entropy-stabilized oxide: A theoretical investigation

JOURNAL OF APPLIED PHYSICS, 127(18).

Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors

JOURNAL OF NUCLEAR MATERIALS, 526.

Influence of mass and charge disorder on the phonon thermal conductivity of entropy stabilized oxides determined by molecular dynamics simulations

JOURNAL OF APPLIED PHYSICS, 125(5).

Investigation on origin of Ru-induced deep-level defects in 4H-SiC epilayer based Schottky diodes by DLTS and theoretical calculations

HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XXI, Vol. 11114.

Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions

JOURNAL OF NANOMATERIALS, 2019.

Evidence for Jahn-Teller compression in the (Mg, Co, Ni, Cu, Zn)O entropy-stabilized oxide: A DFT study

MATERIALS LETTERS, 217, 300–303.

First-principles investigation of diffusion and defect properties of Fe and Ni in Cr2O3

Journal of Applied Physics, 123(15).

Ab initio investigation of the surface properties of austenitic Fe-Ni-Cr alloys in aqueous environments

APPLIED SURFACE SCIENCE, 402, 108–113.

Local structure of the MgxNixCoxCuxZnxO(x=0.2) entropy-stabilized oxide: An EXAFS study

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 100(6), 2732–2738.

Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations

Journal of Applied Physics, 120(9).

Theoretical assessment of bonaccordite formation in pressurized water reactors

JOURNAL OF NUCLEAR MATERIALS, 474, 62–64.

Understanding the Atomic-Level Chemistry and Structure of Oxide Deposits on Fuel Rods in Light Water Nuclear Reactors Using First Principles Methods

JOM, 68(11), 2912–2921.

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

JOURNAL OF NUCLEAR MATERIALS, 457, 209–212.

Defect formation in aqueous environment: Theoretical assessment of boron incorporation in nickel ferrite under conditions of an operating pressurized-water nuclear reactor (PWR)

JOURNAL OF NUCLEAR MATERIALS, 461, 350–356.

Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb3AuGe2In3

PHILOSOPHICAL MAGAZINE, 95(20), 2167–2174.

Calculated Stability and Structure of Nickel Ferrite Crystal Surfaces in Hydrothermal Environments

JOURNAL OF PHYSICAL CHEMISTRY C, 118(10), 5414–5423.

First principles calculations predict stable 50 nm nickel ferrite particles in PWR coolant

JOURNAL OF NUCLEAR MATERIALS, 454(1-3), 77–80.

First-principles investigation of boron defects in nickel ferrite spinel

JOURNAL OF NUCLEAR MATERIALS, 452(1-3), 446–452.

First-principles investigation of boron incorporation into CRUD under Pressurized Water Reactor conditions

Materials Research Society Symposium Proceedings, 1709.

Thermodynamics of thorium substitution in yttrium iron garnet: comparison of experimental and theoretical results

JOURNAL OF MATERIALS CHEMISTRY A, 2(40), 16945–16954.

Three New Silver Uranyl Diphosphonates: Structures and Properties

INORGANIC CHEMISTRY, 53(6), 2787–2796.

Electronic structure and thermodynamic stability of uranium-doped yttrium iron garnet

JOURNAL OF PHYSICS-CONDENSED MATTER, 25(49).

Ferric garnet matrices for immobilization of actinides

JOURNAL OF NUCLEAR MATERIALS, 436(1-3), 1–7.

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

Journal of Physics: Condensed Matter, 25(44), 445008.

Hydroxylation-induced surface stability of AnO(2) (An = U, Np, Pu) from first-principles

Surface Science, 608, 180–187.

Ab initio investigation of actinide incorporation in Ti, Zr, Hf, and Sn-containing garnet structure

Abstracts of Papers of the American Chemical Society, 241.

Actinide adsorption onto mineral surfaces: A quantum-mechanical investigation

Abstracts of Papers of the American Chemical Society, 242.

Actinide incorporation into uranyl alteration phases and garnets

Abstracts of Papers of the American Chemical Society, 242.

Electronic structure and energetics of tetragonal SrCuO2and its high-pressure superstructure phase

Journal of Physics-Condensed Matter, 23(46), 465503.

Electronic structure of Cd, In, Sn substitutional Defects in GaSe

In, Sn Substitutional Defects in GaSe', MRS Proceedings, 994.

First-principles investigation of Ca-3(Ti, Zr, Hf, Sn)(2)Fe2SiO12 garnet structure for incorporation of actinides

Physical Review B, 83(15).

Role of iron in the incorporation of uranium in ferric garnet matrices

Physical Review B, 84(15).

Defect-induced rigidity enhancement in layered semiconductors

Solid State Communications, 150(27-28), 1200–1203.

Doping dependence of electronic and mechanical properties of GaSe1-xTex and Ga1-xInxSe from first principles

Physical Review B, 82(15).

Electronic structure of Ti, Zr, Hf and Sn containing garnets - Materials for immobilization of actinides

Geochimica Et Cosmochimica Acta, 74(12), A845.

ChemInform Abstract: Synthesis, Magnetism and Electronic Structure of YbNi2-xFexAl8(x = 0.91) Isolated from Al Flux.

ChemInform, 40(11).

Electronic structure of substitutional defects and vacancies in GaSe

Journal of Physics and Chemistry of Solids, 70(2), 344–355.

Scanning tunneling microscopy study of the CeTe3 charge density wave

Physical Review B, 79(8).

Theoretical studies of defects states in GaSe and GaTe

Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X, 7079.

Electronic structure of Cd, In, Sn substitutional defects in GaSe

In Semiconductor Defect Engineering-Materials, Synthetic Structures and Devices II (Vol. 994, pp. 73–78).

Electronic structure of Cd, In, Sn substitutional defects in GaSe

Materials Research Society Symposium Proceedings, 994, 73–78. http://www.scopus.com/inward/record.url?eid=2-s2.0-45749109334&partnerID=MN8TOARS