Works (41)

Updated: July 22nd, 2023 21:14

2020 journal article

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).

By: Z. Rak n & D. Brenner n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: June 1, 2020

2019 journal article

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

JOURNAL OF NUCLEAR MATERIALS, 526.

By: Z. Rak n & D. Brenner n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: December 30, 2019

2019 journal article

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).

By: M. Lim n, Z. Rak n, J. Braun*, C. Rost*, G. Kotsonis*, P. Hopkins*, J. Maria*, D. Brenner n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: February 25, 2019

2019 article

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.

co-author countries: United States of America 🇺🇸
author keywords: 4H-SiC; epitaxial layer; DLTS; Ru-induced deep-levels; Schottky diode; DFT calculations
Sources: Web Of Science, ORCID
Added: April 20, 2020

2019 journal article

Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions

JOURNAL OF NANOMATERIALS, 2019.

By: Z. Rak n & D. Brenner n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: November 18, 2019

2018 journal article

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

MATERIALS LETTERS, 217, 300–303.

By: Z. Rak n, J. Maria n & D. Brenner n

co-author countries: United States of America 🇺🇸
author keywords: Jahn-Teller distortion; Entropy-stabilized oxides; High entropy materials
Sources: Web Of Science, ORCID
Added: August 6, 2018

2018 journal article

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

Journal of Applied Physics, 123(15).

By: Z. Rak & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2017 journal article

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

APPLIED SURFACE SCIENCE, 402, 108–113.

By: Z. Rak n & D. Brenner n

co-author countries: United States of America 🇺🇸
author keywords: Austenitic; Fe-Cr-Ni; Alloy; Stainless steel; Surface energy; Ab initio
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

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

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

By: C. Rost n, Z. Rak n, D. Brenner n & J. Maria n

co-author countries: United States of America 🇺🇸
author keywords: oxides; structure; X-ray methods
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

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

Journal of Applied Physics, 120(9).

By: Z. Rak, C. Rost, M. Lim, P. Sarker, C. Toher, S. Curtarolo, J. Maria, D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2016 journal article

Theoretical assessment of bonaccordite formation in pressurized water reactors

JOURNAL OF NUCLEAR MATERIALS, 474, 62–64.

By: Z. Rak n, C. O'Brien n, D. Shin*, A. Andersson*, C. Stanek* & D. Brenner n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

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.

By: Z. Rak n, C. O'Brien n, D. Brenner n, D. Andersson* & C. Stanek*

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

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.

By: D. Brenner n, S. Lu n, . Christopher J. O'Brien n, E. Bucholz n & Z. Rak n

co-author countries: United States of America 🇺🇸

Contributors: D. Brenner n, S. Lu n, . C.J. O'Brien, E. Bucholz n & Z. Rak n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

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.

By: Z. Rak n, E. Bucholz n & D. Brenner n

co-author countries: United States of America 🇺🇸

Contributors: Z. Rák n, E. Bucholz n & D. Brenner n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

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

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

By: Z. Rak n & D. Brenner n

co-author countries: United States of America 🇺🇸

Contributors: Z. Rák n & D. Brenner n

author keywords: electronic structure; Yb-intermetallics; intermediate valency; strongly correlated materials
Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

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

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

By: . Christopher J. O'Brien n, Z. Rak n & D. Brenner n

co-author countries: United States of America 🇺🇸

Contributors: . C.J. O'Brien, Z. Rák n & D. Brenner n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

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

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

By: C. O'Brien n, Z. Rak n, E. Bucholz n & D. Brenner n

co-author countries: United States of America 🇺🇸

Contributors: . C.J. O'Brien n, Z. Rák n, E. Bucholz n & D. Brenner n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

First-principles investigation of boron defects in nickel ferrite spinel

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

By: Z. Rak n, C. O'Brien n & D. Brenner n

co-author countries: United States of America 🇺🇸

Contributors: Z. Rák n, . C.J. O'Brien n & D. Brenner n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 conference paper

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

Materials Research Society Symposium Proceedings, 1709.

By: Z. Rák n, C. O’Brien n & D. Brenner n

co-author countries: United States of America 🇺🇸

Contributors: Z. Rák n, . C.J. O'Brien n & D. Brenner n

Source: ORCID
Added: September 11, 2019

2014 journal article

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

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

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

Three New Silver Uranyl Diphosphonates: Structures and Properties

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

By: A. Nelson*, Z. Rak n, T. Abrecht-Schmitt, U. Becker* & R. Ewing*

co-author countries: United States of America 🇺🇸

Contributors: A. Nelson*, Z. Rak n, T. Albrecht-Schmitt*, U. Becker* & R. Ewing*

Sources: Web Of Science, ORCID
Added: August 6, 2018

2013 journal article

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

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

By: Z. Rak*, R. Ewing & U. Becker

Contributors: Z. Rák*, R. Ewing & U. Becker

Sources: Web Of Science, ORCID
Added: August 6, 2018

2013 journal article

Ferric garnet matrices for immobilization of actinides

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

By: Z. Rak*, R. Ewing* & U. Becker*

co-author countries: United States of America 🇺🇸

Contributors: Z. Rak*, R. Ewing* & U. Becker*

Sources: Web Of Science, ORCID
Added: August 6, 2018

2013 journal article

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.

By: C. O’Brien n, Z. Rák n & D. Brenner n

co-author countries: United States of America 🇺🇸

Contributors: . C.J. O'Brien n, Z. Rák n & D. Brenner n

Sources: ORCID, Crossref, NC State University Libraries
Added: August 6, 2018

2013 journal article

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

Surface Science, 608, 180–187.

By: Z. Rak*, R. Ewing* & U. Becker*

co-author countries: United States of America 🇺🇸

Contributors: Z. Rak*, R. Ewing* & U. Becker*

author keywords: Actinide dioxide surfaces; Water adsorption; Surface energy; Surface stability; Density functional theory
Source: ORCID
Added: September 11, 2019

2011 journal article

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

Abstracts of Papers of the American Chemical Society, 241.

By: Z. Rak, R. Ewing & U. Becker

Contributors: Z. Rak, R. Ewing & U. Becker

Source: ORCID
Added: September 11, 2019

2011 journal article

Actinide adsorption onto mineral surfaces: A quantum-mechanical investigation

Abstracts of Papers of the American Chemical Society, 242.

By: L. Shuller, D. Renock, Z. Rak, S. Fernando, I. Dzulkifli, R. Ewing, U. Becker

Contributors: L. Shuller, D. Renock, Z. Rak, S. Fernando, I. Dzulkifli, R. Ewing, U. Becker

Source: ORCID
Added: September 11, 2019

2011 journal article

Actinide incorporation into uranyl alteration phases and garnets

Abstracts of Papers of the American Chemical Society, 242.

By: U. Becker, L. Shuller, R. Ewing & Z. Rak

Contributors: U. Becker, L. Shuller, R. Ewing & Z. Rak

Source: ORCID
Added: September 11, 2019

2011 journal article

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

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

co-author countries: Australia 🇦🇺 United States of America 🇺🇸

Contributors: J. Wang*, Z. Rak*, F. Zhang*, R. Ewing* & U. Becker*

Source: ORCID
Added: September 11, 2019

2011 journal article

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

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

By: Z. Rak*, S. Mahanti*, K. Mandal* & N. Fernelius*

co-author countries: United States of America 🇺🇸
Source: ORCID
Added: September 11, 2019

2011 journal article

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

Physical Review B, 83(15).

By: Z. Rak*, R. Ewing* & U. Becker*

co-author countries: United States of America 🇺🇸

Contributors: Z. Rak*, R. Ewing* & U. Becker*

Source: ORCID
Added: September 11, 2019

2011 journal article

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

Physical Review B, 84(15).

By: Z. Rak*, R. Ewing* & U. Becker*

co-author countries: United States of America 🇺🇸

Contributors: Z. Rak*, R. Ewing* & U. Becker*

Source: ORCID
Added: September 11, 2019

2010 journal article

Defect-induced rigidity enhancement in layered semiconductors

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

By: Z. Rak*, S. Mahanti*, K. Mandal* & N. Fernelius*

co-author countries: United States of America 🇺🇸

Contributors: Z. Rak*, S. Mahanti*, K. Mandal* & N. Fernelius*

author keywords: Defects in semiconductors; Ab initio; Electronic structure; Mechanical properties
Source: ORCID
Added: September 11, 2019

2010 journal article

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

Physical Review B, 82(15).

By: Z. Rak*, S. Mahanti*, K. Mandal* & N. Fernelius*

co-author countries: United States of America 🇺🇸

Contributors: Z. Rak*, S. Mahanti*, K. Mandal* & N. Fernelius*

Source: ORCID
Added: September 11, 2019

2010 journal article

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

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

By: Z. Rak, R. Ewing & U. Becker

Contributors: Z. Rak, R. Ewing & U. Becker

Source: ORCID
Added: September 11, 2019

2009 journal article

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

ChemInform, 40(11).

By: X. Wu*, M. Francisco*, T. Zsolt Rak*, S. Mahanti* & M. Kanatzidis*

co-author countries: United States of America 🇺🇸
Source: ORCID
Added: September 11, 2019

2009 journal article

Electronic structure of substitutional defects and vacancies in GaSe

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

By: Z. Rak*, S. Mahanti*, K. Mandal* & N. Fernelius*

co-author countries: United States of America 🇺🇸

Contributors: Z. Rak*, S. Mahanti*, K. Mandal* & N. Fernelius*

author keywords: Semiconductors; Ab initio calculations; Defects; Electronic structure
Source: ORCID
Added: September 11, 2019

2009 journal article

Scanning tunneling microscopy study of the CeTe3 charge density wave

Physical Review B, 79(8).

By: A. Tomic*, Z. Rak*, J. Veazey*, C. Malliakas*, S. Mahanti*, M. Kanatzidis*, S. Tessmer*

co-author countries: United States of America 🇺🇸

Contributors: A. Tomic*, Z. Rak*, J. Veazey*, C. Malliakas*, S. Mahanti*, M. Kanatzidis*, S. Tessmer*

author keywords: band structure; cerium alloys; charge density waves; Fourier transforms; scanning tunnelling microscopy; surface charging; tellurium alloys
Source: ORCID
Added: September 11, 2019

2008 journal article

Theoretical studies of defects states in GaSe and GaTe

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

By: Z. Rak*, S. Mahanti*, K. Mandal*, N. Fernelius*, A. Burger, L. Franks, R. James

co-author countries: United States of America 🇺🇸

Contributors: Z. Rak*, S. Mahanti*, K. Mandal*, N. Fernelius*, A. Burger, L. Franks, R. James

author keywords: defects; wide gap semiconductors; ab initio calculations; electronic structure
Source: ORCID
Added: September 11, 2019

2007 chapter

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).

By: Z. Rak, S. Mahanti, K. Mandal, N. Fernelius, S. Ashok, J. Chevallier, P. Kiesel, T. Ogino

Contributors: Z. Rak, S. Mahanti, K. Mandal, N. Fernelius, S. Ashok, J. Chevallier, P. Kiesel, T. Ogino

Source: ORCID
Added: September 11, 2019

2007 conference paper

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

By: Z. Rak, S. Mahanti, K. Mandal & N. Fernelius

Contributors: Z. Rak, S. Mahanti, K. Mandal & N. Fernelius

Source: ORCID
Added: September 11, 2019