Magnetic phase transitions and spin density distribution in the molecular multiferroic system GaV4S8 [0.03%]
分子多铁系统GaV4S8的磁相变与自旋密度分布
Rebecca L Dally,William D Ratcliff nd,Lunyong Zhang et al.
Rebecca L Dally et al.
We have carried out neutron diffraction and small-angle neutron scattering measurements on a high-quality single crystal of the cubic lacunar spinel multiferroic, GaV4S8, as a function of magnetic field and temperature to determine the magn...
Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response Screening [0.03%]
局域轨道材料中修正离域误差和线性响应屏蔽效应
Jacob Z Williams,Weitao Yang
Jacob Z Williams
Delocalization error prevents density functional theory (DFT) from reaching its full potential, causing problems like systematically underestimated band gaps and misaligned energy levels at interfaces. We introduce lrLOSC to correct delocal...
Pradeep Niroula,Sarang Gopalakrishnan,Michael J Gullans
Pradeep Niroula
Extracting useful information from noisy near-term quantum simulations requires error mitigation strategies. A broad class of these strategies rely on precise characterization of the noise source. We study the robustness of probabilistic er...
Farzad Mahfouzi,Mark D Stiles,Paul M Haney
Farzad Mahfouzi
We use a combination of density functional theory calculations and optical modeling to establish that the electric field-induced Kerr rotation in metallic thin films has contributions from both nonequilibrium orbital moment accumulation (ar...
Atomistic tight-binding Hartree-Fock calculations of multielectron configurations in P-doped silicon devices: Wavefunction reshaping [0.03%]
P掺杂硅器件中多电子组态的原子轨效紧束缚Hartree-Fock计算：波函数重建
Maicol A Ochoa,Keyi Liu,Piotr Różański et al.
Maicol A Ochoa et al.
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly atomic precision in dopant placement promises great control over the quantum properties of these devi...
Electron transport in bilayer graphene nano constrictions patterned using AFM nanolithography [0.03%]
利用AFM纳米光刻技术制备的双层石墨烯纳米约束中的电子输运性质研究
Robert W Rienstra,Nishat Sultana,En-Min Shih et al.
Robert W Rienstra et al.
Here we report on low temperature transport measurements of encapsulated bilayer graphene nano constrictions fabricated employing electrode-free AFM-based local anodic oxidation (LAO) nanolithography. This technique allows for the creation ...
George S Barron,F A Calderon-Vargas,Junling Long et al.
George S Barron et al.
Superconducting transmon qubits are of great interest for quantum computing and quantum simulation. A key component of quantum chemistry simulation algorithms is breaking up the evolution into small steps, which naturally leads to the need ...
Current-induced circular dichroism on metallic surfaces: A first-principles study [0.03%]
金属表面的电流诱导圆二色性：从头算研究
Farzad Mahfouzi,Mark D Stiles,Paul M Haney
Farzad Mahfouzi
We use ab initio calculations to evaluate the current-induced optical response and orbital moment accumulation at the surfaces of metallic films. These two quantities are related by a sum rule that equates the circular dichroic absorption i...
Determination of spin Hall effect and spin diffusion length of Pt from self-consistent fitting of damping enhancement and inverse spin-orbit torque measurements [0.03%]
基于自洽拟合方法确定Pt的自旋霍尔效应和自旋扩散长度
Andrew J Berger,Eric R J Edwards,Hans T Nembach et al.
Andrew J Berger et al.
Understanding the evolution of spin-orbit torque (SOT) with increasing heavy-metal thickness in ferromagnet/normal metal (FM/NM) bilayers is critical for the development of magnetic memory based on SOT. However, several experiments have rev...
V P Amin,M D Stiles
V P Amin
This paper presents the boundary conditions needed for drift-diffusion models to treat interfaces with spin-orbit coupling. Using these boundary conditions for heavy metal/ferromagnet bilayers, solutions of the drift-diffusion equations agr...