News/Highlights

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21.11.2018

Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks

Temperature-responsive flexibility in metal-organic frameworks (MOFs) appeals to the imagination. The ability to transform upon thermal stimuli while...

06.11.2018

Melting Si: Beyond Density Functional Theory

The determination of the melting points of solids using first principles methods is among the most challenging tasks in materials modelling.

27.09.2018

Ab initio study of ABiO3 (A = Ba, Sr, Ca) under high pressure

Using ab initio crystal structure prediction we study the high-pressure phase diagram of ABiO3 bismuthates (A = Ba, Sr, Ca) in a pressure range up to...

06.07.2018

Tunable metal-insulator transition, Rashba effect and Weyl Fermions in a relativistic charge-ordered ferroelectric oxide

Controllable metal–insulator transitions (MIT), Rashba–Dresselhaus (RD) spin splitting, and Weyl semimetals are promising schemes for realizing...

02.02.2018

Polarity compensation mechanisms on the perovskite surface KTaO3(001)

Compensating a polar surface

An ionic crystal surface can be electrostatically unstable, and the surface must reconstruct in some way to avoid this...

21.11.2017

Highly Cited Researchers

Die meist zitierten WissenschafterInnen 2017 wurden gekürt: Von der Fakultät für Physik der Universität Wien sind Georg Kresse, Markus Aspelmeyer und...

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