Pathways towards ferroelectricity in hafnia

Computational investigation of the phase stability and the electronic properties for Gd-doped HfO2

(2014) L. G. Wang et al.   APPLIED PHYSICS LETTERS

Identification of the ferroelectric switching process and dopant-dependent switching properties in orthorhombic HfO2: A first principles insight

(2014) S. Clima et al.   APPLIED PHYSICS LETTERS

Evolutionary search for new high-kdielectric materials: methodology and applications to hafnia-based oxides

(2014) Qingfeng Zeng et al.   Acta Crystallographica Section C-Structural Chemistry

Thermodynamic stability of alkali-metal–zinc double-cation borohydrides at low temperatures

(2013) Tran Doan Huan et al.   PHYSICAL REVIEW B

Low-Energy Polymeric Phases of Alanates

(2013) Tran Doan Huan et al.   PHYSICAL REVIEW LETTERS

Incipient Ferroelectricity in Al-Doped HfO2 Thin Films

(2012) Stefan Mueller et al.   ADVANCED FUNCTIONAL MATERIALS

A generalized solid-state nudged elastic band method

(2012) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS

Recent progress in ab initio simulations of hafnia-based gate stacks

(2012) H. Zhu et al.   JOURNAL OF MATERIALS SCIENCE

Ferroelectricity in Simple Binary ZrO2 and HfO2

(2012) Johannes Müller et al.   NANO LETTERS

Novel Structural Motifs in Low Energy Phases ofLiAlH4

(2012) Maximilian Amsler et al.   PHYSICAL REVIEW LETTERS

Ferroelectricity in Gd-Doped HfO2Thin Films

(2012) S. Mueller et al.   ECS Journal of Solid State Science and Technology

Phase transitions in ferroelectric silicon doped hafnium oxide

(2011) T. S. Böscke et al.   APPLIED PHYSICS LETTERS

Ferroelectricity in hafnium oxide thin films

(2011) T. S. Böscke et al.   APPLIED PHYSICS LETTERS

Crystal structure prediction using the minima hopping method

(2010) Maximilian Amsler et al.   JOURNAL OF CHEMICAL PHYSICS

Phase diagram up to 105 GPa and mechanical strength ofHfO2

(2010) Yahya Al-Khatatbeh et al.   PHYSICAL REVIEW B

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

VESTA: a three-dimensional visualization system for electronic and structural analysis

(2008) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY