Serdar Öğüt

Electronic Structure of LiCoO₂ Surfaces and Effect of Al Substitution

Controlling Nanoscale Thermal Expansion of Monolayer Transition Metal Dichalcogenides by Alloy Engineering

Mapping Thermal Expansion Coefficients in Freestanding 2D Materials at the Nanometer Scale

Benchmarking the <i>GW</i> Approximation and Bethe–Salpeter Equation for Groups IB and IIB Atoms and Monoxides

First-principles study of size- and edge-dependent properties of MXene nanoribbons

Excitation spectra of aromatic molecules within a real-space<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math>-BSE formalism: Role of self-consistency and vertex corrections

Atomic and electronic structure of Ti substitution in Ca3Co4O9

Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO3-buffered ferroelectric BaTiO3 film on GaAs

Phonon and thermal transport properties of the misfit-layered oxide thermoelectric Ca3Co4O9 from first principles

First-principles real-space study of electronic and optical excitations in rutile<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">TiO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>nanocrystals

First-principles study of compensation mechanisms in negatively charged LaGaO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>3</mml:mn></mml:msub></mml:math>/MgAl<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:msub></mml:math>O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>4</mml:mn></mml:msub></mml:math>interfaces

Observations of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msup><mml:mi>Co</mml:mi><mml:mrow><mml:mn>4</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:math>in a Higher Spin State and the Increase in the Seebeck Coefficient of Thermoelectric<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Ca</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi>Co</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:msub><mml:mi mathvariant

First-principles study of the atomic and electronic structures of misfit-layered calcium cobaltite (Ca<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:msub></mml:math>CoO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>3</mml:mn></mml:msub></mml:math>)(CoO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:m

Atomic and electronic structures of SrTiO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>3</mml:mn></mml:msub></mml:math>/GaAs heterointerfaces: An 80-kV atomic-resolution electron energy-loss spectroscopy study