6 papers
A defect in diamond with millisecond-scale spin relaxation time at room temperature
Sounak Mukherjee, Anran Li, Johannes Eberle +16
Spin defects in diamond are promising platforms for quantum sensing. The longest electron spin relaxation times () at room temperature for solid-state defects are observed in…
Functionalized CrC MXenes: Novel Magnetic Semiconductors
Yogendra Limbu, Hari Paudyal, Eudes Gomes da Silva +3
We report an \textit{ab initio} investigation of functionalized and 3-electrons doped CrC MXenes. Upon functionalization, the CrC becomes chemically, dynamically, and me…
Stability, electronic quantum states, and magnetic interactions of Er ions in GaO
Yogendra Limbu, Hari Paudyal, Michael E. Flatté +1
The chemical, structural, mechanical, and dynamical stabilities of the - and -GaO are confirmed from respective negative formation energies, negative cohesive energ…
Singly occupied 4 antiferromagnetic insulators: CePO and CeVO
Hari Paudyal, Yogendra Limbu, Michael E. Flatté +1
Rare-earth containing wide band gap oxides, which provide spin-photon interface and narrow linewidth optical emission, are getting significant attention as the most promising candi…
Ab initio calculations of erbium crystal field splittings in oxide hosts: role of the 4f radial wave function
Yogendra Limbu, Yueguang Shi, Joseph Sink +3
We expand here our description of a newly developed simple and effective ab initio method of calculating crystal field coefficients (CFCs) of rare-earth atoms in insulating hosts,…
Ab initio calculations of erbium crystal field splittings in oxide hosts
Yogendra Limbu, Yueguang Shi, Joseph Sink +3
We present an effective ab initio method to calculate the crystal field coefficients of an erbium (Er3+) ion experiencing different local site symmetries in several wide-band-gap o…