Fracture toughness, a parameter representing the resistance to fracture and capacity of a
material to absorb impact force or energy, is one of the key performance indicators that need …

Nonvolatile memories are in strong demand due to the desire for miniaturization, high-speed
storage, and low energy consumption to fulfill the rapid developments of big data, the …

We report that crystalline phases with ferroelectric behavior can be formed in thin films of
SiO 2 doped hafnium oxide. Films with a thickness of 10 nm and with less than 4 mol.% of …

The structural, thermal, and dielectric properties of the ferroelectric phase of HfO 2, ZrO 2,
and Hf 0.5 Zr 0.5 O 2 (HZO) are investigated with carefully validated density functional …

Ferroelectric HfO2-based materials hold great potential for the widespread integration of
ferroelectricity into modern electronics due to their compatibility with existing Si technology …

Incipient ferroelectricity is known to occur in perovskites such as SrTiO3, KTaO3, and
CaTiO3. For the first time it is shown that the intensively researched HfO2 thin films (16 nm) …

The question of whether one can systematically identify (previously unknown) ferroelectric
phases of a given material is addressed, taking hafnia (HfO 2) as an example. Low free …

Crystalline structures, zone-center phonon modes, and the related dielectric response of the
three low-pressure phases of HfO 2 have been investigated in density-functional theory …

We report the observation of ferroelectric characteristics in undoped hafnium oxide thin films
in a thickness range of 4–20 nm. The undoped films were fabricated using atomic layer …

We have performed plane wave density functional theory calculations of atomic and
molecular interstitial defects and oxygen vacancies in monoclinic hafnia (HfO 2). The atomic …