294 citations · 370 across the 8 of their papers we have counts for
8 papers
Hidden ordered compound-layer and its tailoring of the electronic/optical property in Ge2Sb2SexTe5-x alloys
Chenxu Yu, Linggang Zhu, Hanyu Liu +4
Ge2Sb2SexTe5-x (GSST) alloys represent an emerging class of phase-change materials for integrated photonics. However, the microscopic origins underlying their superior performance…
Efficient GPU-Accelerated Training of a Neuroevolution Potential with Analytical Gradients
Hongfu Huang, Junhao Peng, Kaiqi Li +2
Machine-learning interatomic potentials (MLIPs) such as neuroevolution potentials (NEP) combine quantum-mechanical accuracy with computational efficiency significantly accelerate a…
First principles investigation on anomalous lattice shrinkage of W alloyed rock salt GeTe
Guanjie Wang, Jian Zhou, Zhimei Sun
According to Vegard's law, larger radius atoms substitute for smaller atoms in a solid solution would enlarge the lattice parameters. However, by first-principles calculations, we…
Origin of the abnormal diffusion of transition metal in rutile
Linggang Zhu, Graeme J. Ackland, Qing-Miao Hu +2
Diffusion of dopants in rutile is the fundamental process that determines the performance of many devices in which rutile is used. The diffusion behavior is known to be highly samp…
Insight into the Role of Oxygen in Phase-Change Material GeTe
Linggang Zhu, Zhen Li, Jian Zhou +2
Oxygen is widely used to tune the performance of chalcogenide phase-change materials in the usage of phase-Change random access memory (PCRAM) which is considered as the most promi…
Mechanical properties and electronic structure of the incompressible rhenium carbides and nitrides: A first-principles study
Naihua Miao, Baisheng Sa, Jian Zhou +2
By means of first-principles calculations, the structural stability, mechanical properties and electronic structure of the newly synthesized incompressible Re2C, Re2N, Re3N and an…
Theoretical investigation on the transition metal borides with Ta3B4-type structure: a class of hard and refractory materials
Naihua Miao, Baisheng Sa, Jian Zhou +1
Based on density functional theory, we have systematically studied the structural stability, mechanical properties and chemical bonding of the transition metal borides M3B4 (M=Ti,…
Realization of a reversible switching in TaO2 polymorphs via Peierls distortion for resistance random access memory
Linggang Zhu, Jian Zhou, Zhonglu Guo +1
Transition-metal-oxide based resistance random access memory is a promising candidate for next-generation universal non-volatile memories. Searching and designing appropriate new m…