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We present an enhancement of spin properties of the shallow (<5nm) NV centers by using ALD to deposit titanium oxide layer on the diamond surface. With the oxide layer of an appropriate thickness, increases about 2 up to 3.5 times of both…

Mesoscale and Nanoscale Physics · Physics 2019-01-28 Zhang Wenlong , Lin Shengran , Zhang Jian , Zhao Jiaxin , Yang Yuanjie , Weng Changfeng , Zhou Haolei , Lou Liren , Zhu Wei , Wang Guanzhong

Optical and synchrotron x-ray diffraction diamond anvil cell experiments have been combined with first principles theoretical structure predictions to investigate mixed N2 and H2 up to 55 GPa. We found the formation of oligomeric NxH (x>1)…

The chemical nature of the chemical mechanical polishing of diamond has been examined by adding various redox agents to the alkaline SF1 polishing slurry. Three oxidizing agents namely, hydrogen peroxide, potassium permanganate and ferric…

Diamond and diamond-like carbon (DLC) coatings are widely employed for their exceptional mechanical, thermal and chemical properties, but their industrial application is often limited by weak adhesion to metallic substrates. In this work,…

Materials Science · Physics 2026-01-21 Elisa Damiani , Margherita Marsili , Maria Clelia Righi

Using first-principles method, we investigate the energetic stability, dynamic stability and electronic properties of two three-dimensional (3D) all-sp2 carbon allotropes, sp2-diamond and cubic-graphite. The cubic-graphite was predicted by…

Materials Science · Physics 2012-07-03 Chaoyu He , L. Z. Sun , C. X. Zhang , J. X. Zhong

The bare and hydrogen-covered diamond (100) surfaces were investigated through pseudopotential density-functional calculations within the local-density approximation. Different coverages, ranging from one to two, were considered. These…

Condensed Matter · Physics 2009-10-28 Suklyun Hong , M. Y. Chou

Isolated oxygen impurities and fully oxidized structures of four stable two-dimensional (2D) SiS structures are investigated by {\em ab initio} density functional calculations. Binding energies of oxygen impurities for all the four 2D SiS…

Materials Science · Physics 2019-04-23 Zhengnan Li , Shuai Dong , Jie Guan

Infra-red maps and profiles with high spatial resolution were obtained for two single crystal diamonds with pronounced CO2 IR absorption peaks. Detailed examination allows unambiguous assignment of the spectral features to solid CO2-I…

Materials Science · Physics 2021-02-16 Evgenii P. Barannik , Andrey A. Shiryaev , Thomas Hainschwang

We present measurements of spin relaxation times (T_1, T_1,rho, T_2) on very shallow (<5 nm) nitrogen-vacancy (NV) centers in high-purity diamond single crystals. We find a reduction of spin relaxation times up to 30x compared to bulk…

Mesoscale and Nanoscale Physics · Physics 2014-05-15 T. Rosskopf , A. Dussaux , K. Ohashi , M. Loretz , R. Schirhagl , H. Watanabe , S. Shikata , K. M. Itoh , C. L. Degen

We investigate the effect of surface termination on the charge state of nitrogen vacancy centers, which have been ion-implanted few nanometers below the surface of diamond. We find that, when changing the surface termination from oxygen to…

In most of the realistic ab initio and model calculations which have appeared on the emission of light from Si nanocrystals, the role of surface oxygen has been usually ignored, underestimated or completely ruled out. We investigate…

Mesoscale and Nanoscale Physics · Physics 2016-08-03 Shanawer Niaz , Aristides D. Zdetsis , Emmanuel N. Koukaras , Oguz Gulseren , Imran Sadiq

The experimental observation of elusive post-diamond carbon phases at extreme pressures remains a major challenge in high-pressure science. Using metadynamics with coordination-number-based collective variables and SNAP machine-learned…

Materials Science · Physics 2025-09-03 Roman Martoňák , Sergey Galitskiy , Azat Tipeev , Joseph M. Gonzalez , Ivan I. Oleynik

Nitrogen vacancy (NV) centers in diamond have emerged in recent years as leading quantum sensors in various modalities. Most applications benefit from shallow NVs, enabling higher sensitivity and resolution. However, near surface NVs ($<$…

Quantum Physics · Physics 2026-01-09 R. Malkinson , M. K. Kuntumalla , A. Hoffman , N. Bar-Gill

Fluorescent nanodiamonds (NDs) are crystal defect-based light-emitting nanoparticles that can be applied to quantum information science and quantum sensing. Of particular interest are nitrogen vacancy (NV) centers that allow optical access…

Two-dimensional (2D) diamond has aroused tremendous interest in nanoelectronics and optoelectronics, owing to its superior properties and flexible characteristics compared to bulk diamond. Despite significant efforts, great challenges lie…

The degree of laser-induced graphitisation from a sp3-bonded to a sp2-bonded carbon fraction in a single crystal chemical vapour deposited (CVD) diamond under a varying fluence of an ultrashort pulsed laser (30 fs, 800 nm, 1 kHz)…

Chemical Physics · Physics 2022-03-30 Bakhtiar Ali , Han Xu , Dashavir Chetty , Robert T. Sang , Igor V. Litvinyuk , Maksym Rybachuk

We present a density functional theory analysis of the negatively charged nitrogen-vacancy (NV$^-$) defect complex in diamond located in the vicinity of (111)- or (100)-oriented surfaces with mixed (N,H)-terminations. We assess the…

Materials Science · Physics 2022-02-21 Wolfgang Körner , Reyhaneh Ghassemizadeh , Daniel F. Urban , Christian Elsässer

Diamondoids are a unique form of carbon nanostructure best described as hydrogen-terminated diamond molecules. Their diamond-cage structures and tetrahedral sp3 hybrid bonding create new possibilities for tuning electronic band gaps,…

Nitrogen-vacancy centers in diamond are a promising platform for nanoscale nuclear magnetic resonance sensing. Despite significant progress towards using NV centers to detect and localize nuclear spins down to the single spin level,…

Quantum sensing using optically addressable atomic-scale defects, such as the nitrogen--vacancy (NV) center in diamond, provides new opportunities for sensitive and highly localized characterization of chemical functionality. Notably,…