S. K. Nayak

发表

Electronic and optical properties of zinc based hybrid organic-inorganic compounds

T. Sahoo, S. Alpay, Uchenna A. Anene, 2020, Materials Research Express.

Electronic and Optical Properties of Zinc based Hybrid Organic-Inorganic Compounds for Ultraviolet Applications

T. Sahoo, S. Alpay, Uchenna A. Anene, 2019, 1907.05865.

Anisotropic ferromagnetism in carbon-doped zinc oxide from first-principles studies

P. Entel, P. Kratzer, S. K. Nayak, 2012, 1205.5830.

Novel Al-X alloys with improved hardness

S. Lee, S. Alpay, S. Tulyani, 2020 .

Defect‐Induced Magnetism in Nonmagnetic Oxides: Basic Principles, Experimental Evidence, and Possible Devices with ZnO and TiO2

H. Ohldag, M. Stiller, W. Hergert, 2020, physica status solidi (b).

Magnetic Phase Diagram of Transition Metal Doped ZnO from Density Functional Theory Calculations and Monte Carlo Simulations

P. Entel, H. Herper, S. K. Nayak, 2010 .

Study of charged defects for substitutionally doped chromium in hexagonal barium titanate from first‐principles theory

W. Hergert, W. Adeagbo, S. K. Nayak, 2014 .

k ⃗ · π ⃗ electronic structure theory of strained wurtzite ZnO

S. K. Nayak, G. Tripathi, P. Tripathi, 2020, Physica Scripta.

Local atomic structure distortions in the Dion-Jacobson ferroelectric CsBiNb2O7

S. Alpay, A. Pramanick, S. K. Nayak, 2022, Physical Review B.

Effect of hydrostatic pressure and uniaxial strain on the electronic structure of Pb1−xSnxTe

W. Hergert, P. Entel, A. Ernst, 2015 .

Atomistic origins of Guinier-Preston zone formation and morphology in Al-Cu and Al-Ag alloys from first principles

S. Alpay, S. K. Nayak, R. Hebert, 2019, Scripta Materialia.

Insight into point defects and impurities in titanium from first principles

S. Alpay, S. K. Nayak, Vinit Sharma, 2018, npj Computational Materials.

Polarization rotation in Bi4Ti3O12 by isovalent doping at the fluorite sublattice

S. K. Nayak, K. Co, F. Alpay, 2018, Physical Review B.

Monte Carlo simulations of diluted magnetic semiconductors using ab initio exchange parameters

P. Entel, H. Akai, M. Ogura, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

Oxygen-vacancy-induced local ferromagnetism as a driving mechanism in enhancing the magnetic response of ferrites

F. Golmar, W. Hergert, W. Adeagbo, 2014 .

Carbon doped ZnO: Synthesis, characterization and interpretation

S. Singh, S. N. Behera, P. Entel, 2013 .

Fundamental Aspects of Magnetic Shape Memory Alloys: Insights from Ab Initio and Monte Carlo Studies

P. Entel, V. Buchelnikov, H. Herper, 2009 .

First-principles modeling of binary layered topological insulators: Structural optimization and exchange-correlation functionals

S. Alpay, A. Balatsky, S. K. Nayak, 2019, Physical Review B.

Strain-induced surface modalities in pnictogen chalcogenide topological insulators

S. Alpay, S. K. Nayak, Thomas K. Reid, 2021 .

Monte Carlo study of the influence of antiferromagnetic exchange interactions on the phase transitions of ferromagnetic Ni-Mn-X alloys (X=In,Sn,Sb)

P. Entel, V. Sokolovskiy, S. Taskaev, 2008 .

Electronic conduction through quantum dots undergoing Jahn–Teller transition

S. M. Bose, P. Entel, S. Behera, 2014 .

Advances in methods to obtain and characterise room temperature magnetic ZnO

H. Ohldag, W. Hergert, W. Adeagbo, 2015 .

Quasicrystal stability in complex aluminum alloys: Insights from first principles models on structural motifs in crystalline approximants

M. Aindow, S. K. Nayak, Cain J. Hung, 2022, Scripta Materialia.

Theory of k→⋅π→+U formalism for diluted magnetic semiconductors: Application to p-type Sn1−xGdxTe

P. Entel, S. Behera, S. K. Nayak, 2013 .

Theoretical investigation of iron incorporation in hexagonal barium titanate

W. Hergert, W. Adeagbo, S. K. Nayak, 2019, Physical Review B.

Chromium point defects in hexagonal BaTiO 3 : A comparative study of first-principles calculations and experiments

W. Hergert, W. Adeagbo, S. K. Nayak, 2015 .

Matrix controlled structural phase transformations in embedded metallic nanoparticles

L. Parent, S. K. Nayak, R. Hebert, 2022, Scripta Materialia.

Carrier induced local moment magnetization in p-type Sn1−xMnxTe

S. K. Nayak, G. Tripathi, P. Tripathi, 2017 .

Shape Memory Alloys: A Summary of Recent Achievements

P. Entel, A. Zayak, V. Buchelnikov, 2008 .

First Principles Analysis of Impurities in Silicon Carbide Grain Boundaries

S. Coleman, S. K. Nayak, M. Guziewski, 2021, Acta Materialia.

Inducing Quantum Phase Transitions in Non-Topological Insulators Via Atomic Control of Sub-Structural Elements

S. Alpay, A. Balatsky, S. K. Nayak, 2023, 2304.05549.

Study of the negative magneto-resistance of single proton-implanted lithium-doped ZnO microwires

H. Ohldag, J. Meijer, W. Hergert, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Observations of two-dimensional monolayer zinc oxide

T. Sahoo, P. Chelliah, S. K. Nayak, 2016 .

Ab initio simulations of diluted magnetic semiconductors: cobalt‐doped zinc oxide

P. Entel, H. Akai, M. Ogura, 2008 .

Atomic configurations for materials research: A case study of some simple binary compounds

Nga T. T. Nguyen, Huan Tran, Tuoc N. Vu, 2021 .

Soft phonon mode dynamics in Aurivillius-type structures

S. Alpay, N. Vinh, M. Kang, 2016, 1609.00859.

Data-driven methods for discovery of next-generation electrostrictive materials

Dennis P. Trujillo, S. Alpay, P. Janolin, 2022, npj Computational Materials.

Observation and Structure Determination of an Oxide Quasicrystal Approximant.

F. Schumann, S. Förster, W. Widdra, 2016, Physical review letters.

First-principles modeling of binary layered topological insulators: Structural optimization and exchange-correlation functionals

S. Alpay, A. Balatsky, S. K. Nayak, 2019, Physical Review B.